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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.)]-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EwY7Huo7krx
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.)]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.235144887 u
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
SMILES [C@]12([C@@](CC[C@]([C@]2(CC(=O)O)[H])(C)[H])([H])[C@@]([C@]1(O)[H])(CCCC(C)C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905362