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exo-7-Methylbicyclo(4.1.0)hept-2-en-endo-7-propanal

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

exo-7-Methylbicyclo(4.1.0)hept-2-en-endo-7-propanal
SpectraBase Compound ID D5Hw0iQcuUq
InChI InChI=1S/C11H16O/c1-11(7-4-8-12)9-5-2-3-6-10(9)11/h2,5,8-10H,3-4,6-7H2,1H3
InChIKey COWXSOPBSILZLU-UHFFFAOYSA-N
Mol Weight 164.25 g/mol
Molecular Formula C11H16O
Exact Mass 164.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FxWZmU6rg6m
Name exo-7-Methylbicyclo(4.1.0)hept-2-en-endo-7-propanal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 164.120115134 u
Formula C11H16O
InChI InChI=1S/C11H16O/c1-11(7-4-8-12)9-5-2-3-6-10(9)11/h2,5,8-10H,3-4,6-7H2,1H3
InChIKey COWXSOPBSILZLU-UHFFFAOYSA-N
Molecular Weight 164.248 g/mol
SMILES C1C=CC2C(C1)C2(C)CCC=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961999