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7-Benzyloxy-3(E)-hepten-2-one

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

7-Benzyloxy-3(E)-hepten-2-one
SpectraBase Compound ID 6Vf6KcohhUi
InChI InChI=1S/C14H18O2/c1-13(15)8-4-3-7-11-16-12-14-9-5-2-6-10-14/h2,4-6,8-10H,3,7,11-12H2,1H3/b8-4+
InChIKey MZLKLNNXAROXFN-XBXARRHUSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HsmGAci9zff
Name 7-Benzyloxy-3(E)-hepten-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.130679818 u
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-13(15)8-4-3-7-11-16-12-14-9-5-2-6-10-14/h2,4-6,8-10H,3,7,11-12H2,1H3/b8-4+
InChIKey MZLKLNNXAROXFN-XBXARRHUSA-N
Molecular Weight 218.296 g/mol
SMILES C(\C=C\CCCOCC=1C=CC=CC1)(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906301