For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Bicyclo[4.2.0]octane-2-acetic acid, 8-hydroxy-3,7-dimethyl-7-(4-methylpentyl)-, [1R-(1.alpha.,2.beta.,3.beta.,6.alpha.,7.beta.,8.alpha.)]-
SpectraBase Compound ID FEY9F8oy6IN
InChI InChI=1S/C18H32O3/c1-11(2)6-5-9-18(4)14-8-7-12(3)13(10-15(19)20)16(14)17(18)21/h11-14,16-17,21H,5-10H2,1-4H3,(H,19,20)/t12-,13-,14+,16-,17+,18+/m1/s1
InChIKey RDIGVISSZWXNQJ-WNIVTNPTSA-N
Mol Weight 296.5 g/mol
Molecular Formula C18H32O3
Exact Mass 296.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CoQwQUQpkLL
Name Bicyclo[4.2.0]octane-2-acetic acid, 8-hydroxy-3,7-dimethyl-7-(4-methylpentyl)-, [1R-(1.alpha.,2.beta.,3.beta.,6.alpha.,7.beta.,8.alpha.)]-
CAS Registry Number 77982-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O3
InChI InChI=1S/C18H32O3/c1-11(2)6-5-9-18(4)14-8-7-12(3)13(10-15(19)20)16(14)17(18)21/h11-14,16-17,21H,5-10H2,1-4H3,(H,19,20)/t12-,13-,14+,16-,17+,18+/m1/s1
InChIKey RDIGVISSZWXNQJ-WNIVTNPTSA-N
Molecular Weight 296.451 g/mol
SMILES OC(C[C@]1([C@@]2([C@@]([C@@]([C@]2(O)[H])(CCCC(C)C)C)(CC[C@]1(C)[H])[H])[H])[H])=O
SPLASH splash10-0006-0930000000-b2fb28ab2a507023d966
Source of Spectrum F-36-3258-0
Synonyms [(1R,2R,3R,6S,7S,8S)-8-hydroxy-3,7-dimethyl-7-(4-methylpentyl)bicyclo[4.2.0]oct-2-yl]acetic acid [1R-(1.alpha.,2.beta.,3.beta.,6.alpha.,7.alpha.,8.beta.)]-8-hydroxy-3,7-dimethyl-7-(4-methylpentyl)bicyclo[4.2.0]octane-2-acetic acid
Wiley ID 1299408