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2-Benzyl-2-methyl-trans-3-pentenal

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

2-Benzyl-2-methyl-trans-3-pentenal
SpectraBase Compound ID 5w8KEPGu9Lz
InChI InChI=1S/C13H16O/c1-3-9-13(2,11-14)10-12-7-5-4-6-8-12/h3-9,11H,10H2,1-2H3/b9-3+
InChIKey IXSLLQSXPVEBDB-YCRREMRBSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID GPToggBN1wG
Name 2-Benzyl-2-methyl-trans-3-pentenal; benzenepropanal, alpha-methyl-alpha-1-propenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.120115134 u
Formula C13H16O
InChI InChI=1S/C13H16O/c1-3-9-13(2,11-14)10-12-7-5-4-6-8-12/h3-9,11H,10H2,1-2H3/b9-3+
InChIKey IXSLLQSXPVEBDB-YCRREMRBSA-N
Molecular Weight 188.270 g/mol
SMILES C(C(\C=C\C)(C)CC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Raman) 0.993109