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3-Benzyl-8-nitro-[1,2,4]triazolo[3,4-b][1,3,4]benzothiadiazepine

View entire compound with spectra: 1 MS (GC)

3-Benzyl-8-nitro-[1,2,4]triazolo[3,4-b][1,3,4]benzothiadiazepine
SpectraBase Compound ID 9Tt1yn9sQRK
InChI InChI=1S/C16H11N5O2S/c22-21(23)13-6-7-14-12(9-13)10-17-20-15(18-19-16(20)24-14)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChIKey VZFKGHPLZFQXDL-UHFFFAOYSA-N
Mol Weight 337.36 g/mol
Molecular Formula C16H11N5O2S
Exact Mass 337.063346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5lCLRzk30cn
Name 3-Benzyl-8-nitro-[1,2,4]triazolo[3,4-b][1,3,4]benzothiadiazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N5O2S
InChI InChI=1S/C16H11N5O2S/c22-21(23)13-6-7-14-12(9-13)10-17-20-15(18-19-16(20)24-14)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChIKey VZFKGHPLZFQXDL-UHFFFAOYSA-N
Molecular Weight 337.357 g/mol
SMILES c1ccc(cc1)Cc1[n]2c(Sc3c(C=N2)cc(cc3)N(=O)=O)nn1
SPLASH splash10-000i-4769000000-0bc94b66165d948f7681
Synonyms 8-Nitro-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]benzothiadiazepine
Wiley ID 1511673