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Benzyl-1H,7H-bis[1,2,5]oxadiazolo[3,4-b:3',4'-f][1,2,3]triazolo[4,5-d]azepine

View entire compound with spectra: 1 MS (GC)

Benzyl-1H,7H-bis[1,2,5]oxadiazolo[3,4-b:3',4'-f][1,2,3]triazolo[4,5-d]azepine
SpectraBase Compound ID BxTFfeoyHxd
InChI InChI=1S/C13H8N8O2/c1-2-4-7(5-3-1)6-21-12-10(16-22-18-12)8-9(15-20-14-8)11-13(21)19-23-17-11/h1-5H,6H2,(H,14,15,20)
InChIKey CORMMVRJMFZKTN-UHFFFAOYSA-N
Mol Weight 308.26 g/mol
Molecular Formula C13H8N8O2
Exact Mass 308.077022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IkjLF0Il487
Name Benzyl-1H,7H-bis[1,2,5]oxadiazolo[3,4-b:3',4'-f][1,2,3]triazolo[4,5-d]azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8N8O2
InChI InChI=1S/C13H8N8O2/c1-2-4-7(5-3-1)6-21-12-10(16-22-18-12)8-9(15-20-14-8)11-13(21)19-23-17-11/h1-5H,6H2,(H,14,15,20)
InChIKey CORMMVRJMFZKTN-UHFFFAOYSA-N
Molecular Weight 308.261 g/mol
SMILES [nH]1nnc2-c3c(N(c4c(-c12)non4)Cc1ccccc1)non3
SPLASH splash10-0006-9000000000-2fba1d493258d4490d69
Source of Spectrum HC-49-1074-9f
Synonyms 7-Benzyl-1,7-dihydrobis([1,2,5]oxadiazolo)[3,4-b:3',4'-f][1,2,3]triazolo[4,5-d]azepine
Wiley ID 1739542