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7-(2-Amino-2-oxoethyl)-7H-tris[1,2,5]oxadiazolo[3,4-b:3',4'-d:3",4"-f]azepine 1-Oxide

View entire compound with spectra: 1 MS (GC)

7-(2-Amino-2-oxoethyl)-7H-tris[1,2,5]oxadiazolo[3,4-b:3',4'-d:3",4"-f]azepine 1-Oxide
SpectraBase Compound ID EbDXNL4t7sy
InChI InChI=1S/C8H4N8O5/c9-2(17)1-15-7-4(10-19-13-7)3-6(16(18)21-12-3)5-8(15)14-20-11-5/h1H2,(H2,9,17)
InChIKey NBKNNTHFKOCKFZ-UHFFFAOYSA-N
Mol Weight 292.17 g/mol
Molecular Formula C8H4N8O5
Exact Mass 292.030465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHTsrgfA5Xa
Name 7-(2-Amino-2-oxoethyl)-7H-tris[1,2,5]oxadiazolo[3,4-b:3',4'-d:3",4"-f]azepine 1-Oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4N8O5
InChI InChI=1S/C8H4N8O5/c9-2(17)1-15-7-4(10-19-13-7)3-6(16(18)21-12-3)5-8(15)14-20-11-5/h1H2,(H2,9,17)
InChIKey NBKNNTHFKOCKFZ-UHFFFAOYSA-N
Molecular Weight 292.171 g/mol
SMILES NC(CN1c2c(-c3c(-c4c1non4)[n+]([O-])on3)non2)=O
SPLASH splash10-0006-9120000000-c940edc1a316b3f86d32
Source of Spectrum HC-49-1072-1j
Synonyms 7-(2-amino-2-oxoethyl)-7H-tris([1,2,5]oxadiazolo)[3,4-b:3',4'-d:3'',4''-f]azepine 1-oxide
Wiley ID 1739316