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Details

Stereochemistry ACHIRAL
Molecular Formula C14H22O
Molecular Weight 206.3239
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ISOMETHYL-.BETA.-IONONE, (Z)-

SMILES

CC(=O)C(\C)=C/C1=C(C)CCCC1(C)C

InChI

InChIKey=NSSHGPBKKVJJMM-LUAWRHEFSA-N
InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9H,6-8H2,1-5H3/b11-9-

HIDE SMILES / InChI

Molecular Formula C14H22O
Molecular Weight 206.3239
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:46:03 GMT 2023
Edited
by admin
on Sat Dec 16 01:46:03 GMT 2023
Record UNII
BQK721E59N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOMETHYL-.BETA.-IONONE, (Z)-
Common Name English
3-BUTEN-2-ONE, 3-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-, (Z)-
Systematic Name English
FEMA NO. 4151, Z-
Code English
Code System Code Type Description
CAS
93175-71-4
Created by admin on Sat Dec 16 01:46:03 GMT 2023 , Edited by admin on Sat Dec 16 01:46:03 GMT 2023
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PUBCHEM
5356788
Created by admin on Sat Dec 16 01:46:03 GMT 2023 , Edited by admin on Sat Dec 16 01:46:03 GMT 2023
PRIMARY
FDA UNII
BQK721E59N
Created by admin on Sat Dec 16 01:46:03 GMT 2023 , Edited by admin on Sat Dec 16 01:46:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID30239306
Created by admin on Sat Dec 16 01:46:03 GMT 2023 , Edited by admin on Sat Dec 16 01:46:03 GMT 2023
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