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(Trans)-2-benzoyl-3-(p-methylphenyl)-oxirane

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

(Trans)-2-benzoyl-3-(p-methylphenyl)-oxirane
SpectraBase Compound ID fSMY1C91t5
InChI InChI=1S/C16H14O2/c1-11-7-9-13(10-8-11)15-16(18-15)14(17)12-5-3-2-4-6-12/h2-10,15-16H,1H3/t15-,16-/m1/s1
InChIKey PAAXZHAKZNCFBI-HZPDHXFCSA-N
Mol Weight 238.29 g/mol
Molecular Formula C16H14O2
Exact Mass 238.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4NWElY5Fv8w
Name (Trans)-2-benzoyl-3-(p-methylphenyl)-oxirane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.099379689 u
Formula C16H14O2
InChI InChI=1S/C16H14O2/c1-11-7-9-13(10-8-11)15-16(18-15)14(17)12-5-3-2-4-6-12/h2-10,15-16H,1H3/t15-,16-/m1/s1
InChIKey PAAXZHAKZNCFBI-HZPDHXFCSA-N
Molecular Weight 238.286 g/mol
SMILES [C@]1(O[C@@]1(C=1C=CC(=CC1)C)[H])(C(C=1C=CC=CC1)=O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909689