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5-Methyl-6-oxo-2-(phenylthio)-1,3-oxazine-4-carboxylic acid ethyl ester

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

5-Methyl-6-oxo-2-(phenylthio)-1,3-oxazine-4-carboxylic acid ethyl ester
SpectraBase Compound ID 5RSS0SjOenj
InChI InChI=1S/C14H13NO4S/c1-3-18-13(17)11-9(2)12(16)19-14(15-11)20-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKey MYJAYKVMXVGBAC-UHFFFAOYSA-N
Mol Weight 291.32 g/mol
Molecular Formula C14H13NO4S
Exact Mass 291.056529 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LFRecCAThvb
Name 5-Methyl-6-oxo-2-(phenylthio)-1,3-oxazine-4-carboxylic acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.056529073 u
Formula C14H13NO4S
InChI InChI=1S/C14H13NO4S/c1-3-18-13(17)11-9(2)12(16)19-14(15-11)20-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKey MYJAYKVMXVGBAC-UHFFFAOYSA-N
SMILES C1(=C(N=C(OC1=O)SC1=CC=CC=C1)C(=O)OCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92434