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1-Acetyl-5-oxo-4-allyl-3-thioxo-2,3,4,5-tetrahydro-1H-1,2,4-triazepine-7-carboxylic acid methyl ester
SpectraBase Compound ID 38JUYdw95BJ
InChI InChI=1S/C11H13N3O4S/c1-4-5-13-9(16)6-8(10(17)18-3)14(7(2)15)12-11(13)19/h4,6H,1,5H2,2-3H3,(H,12,19)
InChIKey JMJSGMQGIQGDRX-UHFFFAOYSA-N
Mol Weight 283.3 g/mol
Molecular Formula C11H13N3O4S
Exact Mass 283.062677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTg3NivsISk
Name 1-Acetyl-5-oxo-4-allyl-3-thioxo-2,3,4,5-tetrahydro-1H-1,2,4-triazepine-7-carboxylic acid methyl ester
Alternate Name(s) 1-Acetyl-5-oxo-4-prop-2-enyl-3-sulfanylidene-2H-1,2,4-triazepine-7-carboxylic acid methyl ester Methyl 1-acetyl-5-oxo-4-prop-2-enyl-3-sulfanylidene-2H-1,2,4-triazepine-7-carboxylate Methyl 1-acetyl-4-allyl-5-oxo-3-thioxo-2H-1,2,4-triazepine-7-carboxylate Methyl 1-ethanoyl-5-oxidanylidene-4-prop-2-enyl-3-sulfanylidene-2H-1,2,4-triazepine-7-carboxylate
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Formula C11H13N3O4S
InChI InChI=1S/C11H13N3O4S/c1-4-5-13-9(16)6-8(10(17)18-3)14(7(2)15)12-11(13)19/h4,6H,1,5H2,2-3H3,(H,12,19)
InChIKey JMJSGMQGIQGDRX-UHFFFAOYSA-N
Molecular Weight 283.302 g/mol
SMILES N1N(C(=CC(N(C1=S)CC=C)=O)C(=O)OC)C(=O)C
SPLASH splash10-0f7o-5190000000-b2dac8dc2fd246a52560
Source of Spectrum Y-45-524-3c
Wiley ID 1666320