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6-carbamoyl-2-(methylthio)-1-nitro-3-indolizinecarboxylic acid ethyl ester
SpectraBase Compound ID DSpFR9pK32i
InChI InChI=1S/C13H13N3O5S/c1-3-21-13(18)10-11(22-2)9(16(19)20)8-5-4-7(12(14)17)6-15(8)10/h4-6H,3H2,1-2H3,(H2,14,17)
InChIKey WBONGFVRSADCFH-UHFFFAOYSA-N
Mol Weight 323.32 g/mol
Molecular Formula C13H13N3O5S
Exact Mass 323.057592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0Yy1hw7M8K
Name 6-carbamoyl-2-(methylthio)-1-nitro-3-indolizinecarboxylic acid ethyl ester
Alternate Name(s) 6-carbamoyl-2-(methylthio)-1-nitro-indolizine-3-carboxylic acid ethyl ester Ethyl 6-aminocarbonyl-2-methylsulfanyl-1-nitro-indolizine-3-carboxylate Ethyl 6-carbamoyl-2-methylsulfanyl-1-nitro-indolizine-3-carboxylate
CAS Registry Number 123471-60-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O5S
InChI InChI=1S/C13H13N3O5S/c1-3-21-13(18)10-11(22-2)9(16(19)20)8-5-4-7(12(14)17)6-15(8)10/h4-6H,3H2,1-2H3,(H2,14,17)
InChIKey WBONGFVRSADCFH-UHFFFAOYSA-N
Molecular Weight 323.323 g/mol
SMILES NC(C1=C[n]2c(c(SC)c(c2C=C1)N(=O)=O)C(=O)OCC)=O
SPLASH splash10-0006-9041000000-2c7bc87d51d50203af8e
Source of Spectrum Y-26-483-4
Wiley ID 1322286