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4H-1,4-Benzothiazine-3-acetic acid, ethyl ester

View entire compound with spectra: 1 MS (GC)

4H-1,4-Benzothiazine-3-acetic acid, ethyl ester
SpectraBase Compound ID dowZv87rbY
InChI InChI=1S/C12H13NO2S/c1-2-15-12(14)7-9-8-16-11-6-4-3-5-10(11)13-9/h3-6,8,13H,2,7H2,1H3
InChIKey KWNLZUOBBBMVNY-UHFFFAOYSA-N
Mol Weight 235.3 g/mol
Molecular Formula C12H13NO2S
Exact Mass 235.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zVrd5omCNx
Name 4H-1,4-Benzothiazine-3-acetic acid, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c1-2-15-12(14)7-9-8-16-11-6-4-3-5-10(11)13-9/h3-6,8,13H,2,7H2,1H3
InChIKey KWNLZUOBBBMVNY-UHFFFAOYSA-N
Molecular Weight 235.301 g/mol
SMILES N1C(=CSc2c1cccc2)CC(=O)OCC
SPLASH splash10-000i-6910000000-406b852ede1408b3b3bf
Source of Spectrum IY-2-4766-7
Synonyms Ethyl 2-(4H-1,4-benzothiazin-3-yl)acetate Ethyl 2-(4H-1,4-benzothiazin-3-yl)ethanoate
Wiley ID 1655650