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2-(3'-Methylbut-1'-enyl)-cyclohex-1-ene-1-carbaldehyde

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

2-(3'-Methylbut-1'-enyl)-cyclohex-1-ene-1-carbaldehyde
SpectraBase Compound ID 4zlVTd7NyAq
InChI InChI=1S/C12H18O/c1-10(2)7-8-11-5-3-4-6-12(11)9-13/h7-10H,3-6H2,1-2H3/b8-7+
InChIKey MTWIDFJQLNMMQY-BQYQJAHWSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JtvoCa5kEUL
Name 2-(3'-Methylbut-1'-enyl)-cyclohex-1-ene-1-carbaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 178.135765199 u
Formula C12H18O
InChI InChI=1S/C12H18O/c1-10(2)7-8-11-5-3-4-6-12(11)9-13/h7-10H,3-6H2,1-2H3/b8-7+
InChIKey MTWIDFJQLNMMQY-BQYQJAHWSA-N
Molecular Weight 178.275 g/mol
SMILES C1(\C=C\C(C)C)=C(C=O)CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952288