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Tert-butyl 2-[(2-oxo-2-phenylethyl)sulfonyl]phenyl-carbamate
SpectraBase Compound ID CubaLxi1eJC
InChI InChI=1S/C19H21NO5S/c1-19(2,3)25-18(22)20-15-11-7-8-12-17(15)26(23,24)13-16(21)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,20,22)
InChIKey QARNTZSJMFBOFP-UHFFFAOYSA-N
Mol Weight 375.44 g/mol
Molecular Formula C19H21NO5S
Exact Mass 375.114044 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JgOG8Smwv7W
Name Tert-butyl 2-[(2-oxo-2-phenylethyl)sulfonyl]phenyl-carbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.114043949 u
Formula C19H21NO5S
InChI InChI=1S/C19H21NO5S/c1-19(2,3)25-18(22)20-15-11-7-8-12-17(15)26(23,24)13-16(21)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,20,22)
InChIKey QARNTZSJMFBOFP-UHFFFAOYSA-N
Molecular Weight 375.439 g/mol
SMILES C=1(S(CC(=O)C2=CC=CC=C2)(=O)=O)C(NC(OC(C)(C)C)=O)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965922