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(4R,9aS)-3-acetyl-4-methyl-2,4,7,8,9,9a-hexahydropyrrolo[2,1-d][1,2,5]triazepine-1,5-dione
SpectraBase Compound ID HeZiZxkiQID
InChI InChI=1S/C10H15N3O3/c1-6-10(16)12-5-3-4-8(12)9(15)11-13(6)7(2)14/h6,8H,3-5H2,1-2H3,(H,11,15)/t6-,8+/m1/s1
InChIKey VYZOIKVSYKYXRC-SVRRBLITSA-N
Mol Weight 225.25 g/mol
Molecular Formula C10H15N3O3
Exact Mass 225.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YUrX8LyVLE
Name (4R,9aS)-3-acetyl-4-methyl-2,4,7,8,9,9a-hexahydropyrrolo[2,1-d][1,2,5]triazepine-1,5-dione
Alternate Name(s) (4R,9aS)-3-acetyl-4-methyl-2,4,7,8,9,9a-hexahydropyrrolo[2,1-d][1,2,5]triazepine-1,5-quinone (4R,9aS)-3-ethanoyl-4-methyl-2,4,7,8,9,9a-hexahydropyrrolo[2,1-d][1,2,5]triazepine-1,5-dione
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Formula C10H15N3O3
InChI InChI=1S/C10H15N3O3/c1-6-10(16)12-5-3-4-8(12)9(15)11-13(6)7(2)14/h6,8H,3-5H2,1-2H3,(H,11,15)/t6-,8+/m1/s1
InChIKey VYZOIKVSYKYXRC-SVRRBLITSA-N
Molecular Weight 225.248 g/mol
SMILES N1C([C@@]2(CCCN2C([C@](N1C(=O)C)(C)[H])=O)[H])=O
SPLASH splash10-00c0-4920000000-bdb409a41fbbbd889ac9
Source of Spectrum KC-0-2305-16
Wiley ID 823050