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4-(4,4-Dimethylcyclohex-1-enyl)pent-4-enal

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

4-(4,4-Dimethylcyclohex-1-enyl)pent-4-enal
SpectraBase Compound ID FcPhX1iBvND
InChI InChI=1S/C13H20O/c1-11(5-4-10-14)12-6-8-13(2,3)9-7-12/h6,10H,1,4-5,7-9H2,2-3H3
InChIKey PJUMSPKSPNURIO-UHFFFAOYSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5522P2E1zva
Name 4-(4,4-Dimethylcyclohex-1-enyl)pent-4-enal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 192.151415263 u
Formula C13H20O
InChI InChI=1S/C13H20O/c1-11(5-4-10-14)12-6-8-13(2,3)9-7-12/h6,10H,1,4-5,7-9H2,2-3H3
InChIKey PJUMSPKSPNURIO-UHFFFAOYSA-N
Molecular Weight 192.302 g/mol
SMILES C(=O)CCC(=C)C=1CCC(CC1)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.806421