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(1R,4ar,5S)-5-[(E)-5-Hydroxy-3-methylpent-3-enyl]-1,4A-dimethyl-6-methylidene-3,4,5,7,8,8A-hexahydro-2H-naphthalene-1-carbaldehyde

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(1R,4ar,5S)-5-[(E)-5-Hydroxy-3-methylpent-3-enyl]-1,4A-dimethyl-6-methylidene-3,4,5,7,8,8A-hexahydro-2H-naphthalene-1-carbaldehyde
SpectraBase Compound ID JiWdCa9Oksl
InChI InChI=1S/C20H32O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h10,14,17-18,21H,2,5-9,11-13H2,1,3-4H3/b15-10+/t17-,18?,19-,20+/m0/s1
InChIKey FSLWKIHHQUNBQK-LDGRNEMHSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CG55eZ5PQi1
Name (1R,4ar,5S)-5-[(E)-5-Hydroxy-3-methylpent-3-enyl]-1,4A-dimethyl-6-methylidene-3,4,5,7,8,8A-hexahydro-2H-naphthalene-1-carbaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.240230268 u
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h10,14,17-18,21H,2,5-9,11-13H2,1,3-4H3/b15-10+/t17-,18?,19-,20+/m0/s1
InChIKey FSLWKIHHQUNBQK-LDGRNEMHSA-N
Molecular Weight 304.474 g/mol
SMILES C1C[C@@](C2CCC([C@@]([C@]2(C1)C)(CC\C(C)=C\CO)[H])=C)(C)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959238