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(E,Z)-5-Benzylidenenon-8-enal

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

(E,Z)-5-Benzylidenenon-8-enal
SpectraBase Compound ID 2iRpHOmsTcO
InChI InChI=1S/C16H20O/c1-2-3-9-15(12-7-8-13-17)14-16-10-5-4-6-11-16/h2,4-6,10-11,13-14H,1,3,7-9,12H2/b15-14-
InChIKey IYWBWAFJSPRBQW-PFONDFGASA-N
Mol Weight 228.33 g/mol
Molecular Formula C16H20O
Exact Mass 228.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BbWP5nObEdy
Name (E,Z)-5-Benzylidenenon-8-enal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.151415263 u
Formula C16H20O
InChI InChI=1S/C16H20O/c1-2-3-9-15(12-7-8-13-17)14-16-10-5-4-6-11-16/h2,4-6,10-11,13-14H,1,3,7-9,12H2/b15-14-
InChIKey IYWBWAFJSPRBQW-PFONDFGASA-N
Molecular Weight 228.335 g/mol
SMILES C(\C(=C\C=1C=CC=CC1)CCCC=O)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.891765