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1H-Pyrazole-3,4-dicarboxylic acid, 5-(methylthio)-1-(4-morpholinyl)-, dimethyl ester
SpectraBase Compound ID H4DKX9aE0QV
InChI InChI=1S/C12H17N3O5S/c1-18-11(16)8-9(12(17)19-2)13-15(10(8)21-3)14-4-6-20-7-5-14/h4-7H2,1-3H3
InChIKey CFMZCGWLQPVGEB-UHFFFAOYSA-N
Mol Weight 315.34 g/mol
Molecular Formula C12H17N3O5S
Exact Mass 315.088892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6Wu8gpZRjO
Name 1H-Pyrazole-3,4-dicarboxylic acid, 5-(methylthio)-1-(4-morpholinyl)-, dimethyl ester
Alternate Name(s) Dimethyl 5-(methylsulfanyl)-1-(4-morpholinyl)-1H-pyrazole-3,4-dicarboxylate Dimethylester of 5-(methylthio)-1-morpholino-3,4-pyrazoldicarboxylic acid
CAS Registry Number 79489-83-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17N3O5S
InChI InChI=1S/C12H17N3O5S/c1-18-11(16)8-9(12(17)19-2)13-15(10(8)21-3)14-4-6-20-7-5-14/h4-7H2,1-3H3
InChIKey CFMZCGWLQPVGEB-UHFFFAOYSA-N
Molecular Weight 315.344 g/mol
SMILES c1([n](nc(c1C(=O)OC)C(=O)OC)N1CCOCC1)SC
SPLASH splash10-0ap0-9274000000-b74cbd8b4a855f27b88c
Source of Spectrum K-114-2461-0
Wiley ID 1315778