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2(1H)-Benzocyclooctenone, decahydro-4a-methyl-, trans-(-)-

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

2(1H)-Benzocyclooctenone, decahydro-4a-methyl-, trans-(-)-
SpectraBase Compound ID JaT8sYLuPbA
InChI InChI=1S/C13H22O/c1-13-8-5-3-2-4-6-11(13)10-12(14)7-9-13/h11H,2-10H2,1H3
InChIKey GENUNMIBLGKVGA-UHFFFAOYSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ERjcOvf3x0Z
Name 2(1H)-Benzocyclooctenone, decahydro-4A-methyl-, trans-(-)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.167065327 u
Formula C13H22O
InChI InChI=1S/C13H22O/c1-13-8-5-3-2-4-6-11(13)10-12(14)7-9-13/h11H,2-10H2,1H3
InChIKey GENUNMIBLGKVGA-UHFFFAOYSA-N
Molecular Weight 194.318 g/mol
SMILES C12(C)C(CC(CC2)=O)CCCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944265