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2-Benzoyl-3-hydroxymethyl-2-phenylsulfonyloxirane

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

2-Benzoyl-3-hydroxymethyl-2-phenylsulfonyloxirane
SpectraBase Compound ID 8ptXmMZ6hwp
InChI InChI=1S/C16H14O5S/c17-11-14-16(21-14,15(18)12-7-3-1-4-8-12)22(19,20)13-9-5-2-6-10-13/h1-10,14,17H,11H2
InChIKey QVOPYRZHTYXGSC-UHFFFAOYSA-N
Mol Weight 318.34 g/mol
Molecular Formula C16H14O5S
Exact Mass 318.056195 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DyPCisFK7J3
Name 2-Benzoyl-3-hydroxymethyl-2-phenylsulfonyloxirane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.056194720 u
Formula C16H14O5S
InChI InChI=1S/C16H14O5S/c17-11-14-16(21-14,15(18)12-7-3-1-4-8-12)22(19,20)13-9-5-2-6-10-13/h1-10,14,17H,11H2
InChIKey QVOPYRZHTYXGSC-UHFFFAOYSA-N
Molecular Weight 318.343 g/mol
SMILES C1(OC1CO)(S(=O)(=O)C=1C=CC=CC1)C(C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902882