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1-Oxa-2-acetoxymethyl-6-benzoylmethyl-4-cyclohexene

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

1-Oxa-2-acetoxymethyl-6-benzoylmethyl-4-cyclohexene
SpectraBase Compound ID FCeKUdgTpfl
InChI InChI=1S/C16H18O4/c1-12(17)19-11-15-9-5-8-14(20-15)10-16(18)13-6-3-2-4-7-13/h2-8,14-15H,9-11H2,1H3
InChIKey LVPGJCKKEZWDMU-UHFFFAOYSA-N
Mol Weight 274.32 g/mol
Molecular Formula C16H18O4
Exact Mass 274.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EapZ8B31mtx
Name 1-oxa-2-Acetoxymethyl-6-benzoylmethyl-4-cyclohexene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.120509056 u
Formula C16H18O4
InChI InChI=1S/C16H18O4/c1-12(17)19-11-15-9-5-8-14(20-15)10-16(18)13-6-3-2-4-7-13/h2-8,14-15H,9-11H2,1H3
InChIKey LVPGJCKKEZWDMU-UHFFFAOYSA-N
SMILES C(CC1OC(COC(=O)C)CC=C1)(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.832353