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5-(methylthio)-6-oxooxazine-3,4-dicarboxylic acid dimethyl ester
SpectraBase Compound ID FfzPcVESwtf
InChI InChI=1S/C9H9NO6S/c1-14-7(11)4-5(8(12)15-2)10-16-9(13)6(4)17-3/h1-3H3
InChIKey FHNOEGJEPRBYPE-UHFFFAOYSA-N
Mol Weight 259.23 g/mol
Molecular Formula C9H9NO6S
Exact Mass 259.015058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ay95SE4oi5O
Name 5-(methylthio)-6-oxooxazine-3,4-dicarboxylic acid dimethyl ester
Alternate Name(s) 6-keto-5-(methylthio)oxazine-3,4-dicarboxylic acid dimethyl ester Dimethyl 5-methylsulfanyl-6-oxidanylidene-1,2-oxazine-3,4-dicarboxylate Dimethyl 5-methylsulfanyl-6-oxo-oxazine-3,4-dicarboxylate
CAS Registry Number 79489-79-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO6S
InChI InChI=1S/C9H9NO6S/c1-14-7(11)4-5(8(12)15-2)10-16-9(13)6(4)17-3/h1-3H3
InChIKey FHNOEGJEPRBYPE-UHFFFAOYSA-N
Molecular Weight 259.232 g/mol
SMILES C=1(C(=NOC(C1SC)=O)C(=O)OC)C(=O)OC
SPLASH splash10-0udi-0190000000-97decd3a50e6ed988637
Source of Spectrum K-114-2459-0
Wiley ID 1262460