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

SpectraBase Compound ID	JAbxJ8bIKOq
InChI	InChI=1S/C16H13N7O6/c1-25-9-4-3-8(7-10(9)26-2)5-6-22-15-12(17-27-20-15)11-14(23(24)29-19-11)13-16(22)21-28-18-13/h3-4,7H,5-6H2,1-2H3
InChIKey	IWYVGEWDOQPBEZ-UHFFFAOYSA-N Google Search
Mol Weight	399.32 g/mol
Molecular Formula	C16H13N7O6
Exact Mass	399.092731 g/mol

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SpectraBase Spectrum ID	LCPXtDMNwh
Name	7-[2-(3,4-Dimethoxyphenyl)ethyl]-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	C16H13N7O6
InChI	InChI=1S/C16H13N7O6/c1-25-9-4-3-8(7-10(9)26-2)5-6-22-15-12(17-27-20-15)11-14(23(24)29-19-11)13-16(22)21-28-18-13/h3-4,7H,5-6H2,1-2H3
InChIKey	IWYVGEWDOQPBEZ-UHFFFAOYSA-N
Molecular Weight	399.323 g/mol
SMILES	c-12c(-c3c(non3)N(c3c1non3)CCc1cc(OC)c(cc1)OC)[n+]([O-])on2
SPLASH	splash10-0udi-2902000000-c3f8eadc4d7cd1fa3382
Source of Spectrum	HC-49-1072-1i
Synonyms	7-(3,4-dimethoxyphenethyl)-7H-tris([1,2,5]oxadiazolo)[3,4-b:3',4'-d:3'',4''-f]azepine 1-oxide
Wiley ID	1739554