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(E) and (Z)-2-Octylidenecyclopropanecarbaldehyde

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

(E) and (Z)-2-Octylidenecyclopropanecarbaldehyde
SpectraBase Compound ID LSImCI9tYsM
InChI InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-11-9-12(11)10-13/h8,10,12H,2-7,9H2,1H3/b11-8+
InChIKey QCBGHIRWJYETPP-DHZHZOJOSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9GNtJaVRPI3
Name (E) and (Z)-2-Octylidenecyclopropanecarbaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.151415263 u
Formula C12H20O
InChI InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-11-9-12(11)10-13/h8,10,12H,2-7,9H2,1H3/b11-8+
InChIKey QCBGHIRWJYETPP-DHZHZOJOSA-N
Molecular Weight 180.291 g/mol
SMILES C1(\C(C1)=C\CCCCCCC)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880417