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(4R,9aS)-2,4-dimethyl-3,4,7,8,9,9a-hexahydropyrrolo[2,1-d][1,2,5]triazepine-1,5-dione
SpectraBase Compound ID J96nsEi4ajG
InChI InChI=1S/C9H15N3O2/c1-6-8(13)12-5-3-4-7(12)9(14)11(2)10-6/h6-7,10H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKey MFIYNZTUTIHGIR-RQJHMYQMSA-N
Mol Weight 197.24 g/mol
Molecular Formula C9H15N3O2
Exact Mass 197.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dqqBVSe27O
Name (4R,9aS)-2,4-dimethyl-3,4,7,8,9,9a-hexahydropyrrolo[2,1-d][1,2,5]triazepine-1,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15N3O2
InChI InChI=1S/C9H15N3O2/c1-6-8(13)12-5-3-4-7(12)9(14)11(2)10-6/h6-7,10H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKey MFIYNZTUTIHGIR-RQJHMYQMSA-N
Molecular Weight 197.238 g/mol
SMILES N1N(C([C@]2(N(C([C@]1(C)[H])=O)CCC2)[H])=O)C
SPLASH splash10-00di-9500000000-7eeee8d3ba911b0728bb
Source of Spectrum KC-0-2308-17
Synonyms (4R,9aS)-2,4-dimethyl-3,4,7,8,9,9a-hexahydropyrrolo[2,1-d][1,2,5]triazepine-1,5-quinone
Wiley ID 823043