ISOBUTYRATE PHENYLETHYL METHYL CARBINOL

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H20O2
Molecular Weight	220.3074
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOBUTYRATE PHENYLETHYL METHYL CARBINOL

Structure Search

SMILES

CC(CCC1=CC=CC=C1)OC(=O)C(C)C

InChI

InChIKey=WXPXLMVXIAKGEP-UHFFFAOYSA-N

InChI=1S/C14H20O2/c1-11(2)14(15)16-12(3)9-10-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C14H20O2
Molecular Weight	220.3074
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:40:51 GMT 2025` Edited by `admin` on `Mon Mar 31 23:40:51 GMT 2025`
Record UNII	3B4767J18U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOBUTYRATE PHENYLETHYL METHYL CARBINOL

Systematic Name

English

PROPANOIC ACID, 2-METHYL-, 1-METHYL-3-PHENYLPROPYL ESTER

Preferred Name

English

Code System Code Type Description

CAS

85733-06-8

Created by admin on Mon Mar 31 23:40:51 GMT 2025 , Edited by admin on Mon Mar 31 23:40:51 GMT 2025

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PUBCHEM

13096486

Created by admin on Mon Mar 31 23:40:51 GMT 2025 , Edited by admin on Mon Mar 31 23:40:51 GMT 2025

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FDA UNII

3B4767J18U

Created by admin on Mon Mar 31 23:40:51 GMT 2025 , Edited by admin on Mon Mar 31 23:40:51 GMT 2025

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EVMPD

SUB126643

Created by admin on Mon Mar 31 23:40:51 GMT 2025 , Edited by admin on Mon Mar 31 23:40:51 GMT 2025

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SMS_ID

100000152121

Created by admin on Mon Mar 31 23:40:51 GMT 2025 , Edited by admin on Mon Mar 31 23:40:51 GMT 2025

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