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(E)-3-(2,6,6-trimethyl-1-cyclohex-2-enyl)-2-propenal

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

(E)-3-(2,6,6-trimethyl-1-cyclohex-2-enyl)-2-propenal
SpectraBase Compound ID DAUxVQzOiMJ
InChI InChI=1S/C12H18O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h5-7,9,11H,4,8H2,1-3H3/b7-5+
InChIKey UJVSEMXLKPHRHD-FNORWQNLSA-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 E5Cct698ygR
Name (E)-3-(2,6,6-Trimethyl-1-cyclohex-2-enyl)-2-propenal
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/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h5-7,9,11H,4,8H2,1-3H3/b7-5+
InChIKey UJVSEMXLKPHRHD-FNORWQNLSA-N
Molecular Weight 178.275 g/mol
SMILES C1(C(=CCCC1(C)C)C)\C=C\C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942282