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Details

Stereochemistry RACEMIC
Molecular Formula C10H16
Molecular Weight 136.234
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-THUJENE, (±)-

SMILES

CC(C)[C@@]12C[C@@H]1[C@@H](C)C=C2

InChI

InChIKey=GJYKUZUTZNTBEC-IVZWLZJFSA-N
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4-5,7-9H,6H2,1-3H3/t8-,9+,10+/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H16
Molecular Weight 136.234
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:33:49 GMT 2025
Edited
by admin
on Tue Apr 01 16:33:49 GMT 2025
Record UNII
6530SNR9KD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-THUJENE
Preferred Name English
.BETA.-THUJENE, (±)-
Common Name English
4-METHYL-1-(1-METHYLETHYL)BICYCLO(3.1.0)HEX-2-ENE
Systematic Name English
2-THUJENE
Systematic Name English
Code System Code Type Description
CAS
28634-89-1
Created by admin on Tue Apr 01 16:33:49 GMT 2025 , Edited by admin on Tue Apr 01 16:33:49 GMT 2025
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EPA CompTox
DTXSID301037255
Created by admin on Tue Apr 01 16:33:49 GMT 2025 , Edited by admin on Tue Apr 01 16:33:49 GMT 2025
PRIMARY
FDA UNII
6530SNR9KD
Created by admin on Tue Apr 01 16:33:49 GMT 2025 , Edited by admin on Tue Apr 01 16:33:49 GMT 2025
PRIMARY