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(2E)-2-(3-keto-4H-1,4-benzothiazin-2-ylidene)acetic acid methyl ester
SpectraBase Compound ID GRZKkRFLPH0
InChI InChI=1S/C11H9NO3S/c1-15-10(13)6-9-11(14)12-7-4-2-3-5-8(7)16-9/h2-6H,1H3,(H,12,14)/b9-6+
InChIKey MGAINRJZMKQGDQ-RMKNXTFCSA-N
Mol Weight 235.26 g/mol
Molecular Formula C11H9NO3S
Exact Mass 235.030314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnCAzAUVFS3
Name (2E)-2-(3-keto-4H-1,4-benzothiazin-2-ylidene)acetic acid methyl ester
CAS Registry Number 37893-32-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9NO3S
InChI InChI=1S/C11H9NO3S/c1-15-10(13)6-9-11(14)12-7-4-2-3-5-8(7)16-9/h2-6H,1H3,(H,12,14)/b9-6+
InChIKey MGAINRJZMKQGDQ-RMKNXTFCSA-N
Molecular Weight 235.257 g/mol
SMILES N1c2c(S\C(C1=O)=C/C(=O)OC)cccc2
SPLASH splash10-000i-0390000000-86a4916380e629d17341
Source of Spectrum B-39-508-3
Synonyms (2E)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetic acid methyl ester Methyl (2E)-2-(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)ethanoate Methyl (2E)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate
Wiley ID 1236906