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Details

Stereochemistry ACHIRAL
Molecular Formula C13H20
Molecular Weight 176.2979
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-TERT-BUTYL-1,2,3-TRIMETHYLBENZENE

SMILES

CC1=CC(=CC(C)=C1C)C(C)(C)C

InChI

InChIKey=ZQVJKYPEIPJEIP-UHFFFAOYSA-N
InChI=1S/C13H20/c1-9-7-12(13(4,5)6)8-10(2)11(9)3/h7-8H,1-6H3

HIDE SMILES / InChI

Molecular Formula C13H20
Molecular Weight 176.2979
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:20:00 GMT 2023
Edited
by admin
on Sat Dec 16 08:20:00 GMT 2023
Record UNII
36NBO9ZA2F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-TERT-BUTYL-1,2,3-TRIMETHYLBENZENE
Systematic Name English
5-TERT-BUTYLHEMIMELLITENE
Systematic Name English
BENZENE, 5-TERT-BUTYL-1,2,3-TRIMETHYL-
Systematic Name English
J182.126A
Code English
1-TERT-BUTYL-3,4,5-TRIMETHYLBENZENE
Systematic Name English
1,2,3-TRIMETHYL-5-TERT-BUTYLBENZENE
Systematic Name English
BENZENE, 5-(1,1-DIMETHYLETHYL)-1,2,3-TRIMETHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
36NBO9ZA2F
Created by admin on Sat Dec 16 08:20:00 GMT 2023 , Edited by admin on Sat Dec 16 08:20:00 GMT 2023
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PUBCHEM
66811
Created by admin on Sat Dec 16 08:20:00 GMT 2023 , Edited by admin on Sat Dec 16 08:20:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID0038702
Created by admin on Sat Dec 16 08:20:00 GMT 2023 , Edited by admin on Sat Dec 16 08:20:00 GMT 2023
PRIMARY
CAS
98-23-7
Created by admin on Sat Dec 16 08:20:00 GMT 2023 , Edited by admin on Sat Dec 16 08:20:00 GMT 2023
PRIMARY
ECHA (EC/EINECS)
202-648-1
Created by admin on Sat Dec 16 08:20:00 GMT 2023 , Edited by admin on Sat Dec 16 08:20:00 GMT 2023
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