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7-Acetyl-2-(methylthio)-1-nitro-3-indolizinecarboxylic acid ethyl ester
SpectraBase Compound ID G5Yu79JlU6S
InChI InChI=1S/C14H14N2O5S/c1-4-21-14(18)12-13(22-3)11(16(19)20)10-7-9(8(2)17)5-6-15(10)12/h5-7H,4H2,1-3H3
InChIKey AGLTVYFYEGYFJX-UHFFFAOYSA-N
Mol Weight 322.34 g/mol
Molecular Formula C14H14N2O5S
Exact Mass 322.062343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 78BYDolzB36
Name 7-Acetyl-2-(methylthio)-1-nitro-3-indolizinecarboxylic acid ethyl ester
Alternate Name(s) 7-Acetyl-2-(methylthio)-1-nitro-indolizine-3-carboxylic acid ethyl ester Ethyl 7-acetyl-2-methylsulfanyl-1-nitro-indolizine-3-carboxylate Ethyl 7-ethanoyl-2-methylsulfanyl-1-nitro-indolizine-3-carboxylate
CAS Registry Number 123471-62-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2O5S
InChI InChI=1S/C14H14N2O5S/c1-4-21-14(18)12-13(22-3)11(16(19)20)10-7-9(8(2)17)5-6-15(10)12/h5-7H,4H2,1-3H3
InChIKey AGLTVYFYEGYFJX-UHFFFAOYSA-N
Molecular Weight 322.335 g/mol
SMILES c1(c2[n](C=CC(=C2)C(=O)C)c(c1SC)C(=O)OCC)N(=O)=O
SPLASH splash10-008a-0196000000-788ce47568ececd3637b
Source of Spectrum Y-26-483-4
Wiley ID 1321374