For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4,4,7,7-Tetranitro-2-phenyl-4,5,6,7-tetrahydro-2H-1,2,3-benzotriazole
SpectraBase Compound ID 6z7oDsZDbVT
InChI InChI=1S/C12H9N7O8/c20-16(21)11(17(22)23)6-7-12(18(24)25,19(26)27)10-9(11)13-15(14-10)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey KGCOFTBOJHNAME-UHFFFAOYSA-N
Mol Weight 379.25 g/mol
Molecular Formula C12H9N7O8
Exact Mass 379.05126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3IRXasxjGJm
Name 4,4,7,7-Tetranitro-2-phenyl-4,5,6,7-tetrahydro-2H-1,2,3-benzotriazole
CAS Registry Number 330982-33-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N7O8
InChI InChI=1S/C12H9N7O8/c20-16(21)11(17(22)23)6-7-12(18(24)25,19(26)27)10-9(11)13-15(14-10)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey KGCOFTBOJHNAME-UHFFFAOYSA-N
Molecular Weight 379.245 g/mol
SMILES C1CC(c2c(C1(N(=O)=O)N(=O)=O)n[n](n2)-c1ccccc1)(N(=O)=O)N(=O)=O
SPLASH splash10-004u-9250000000-dc0f81f065dfcc551c9a
Synonyms 4,4,7,7-Tetranitro-2-phenyl-4,5,6,7-tetrahydro(2H)benzotriazole 4,4,7,7-tetranitro-2-phenyl-5,6-dihydrobenzotriazole
Wiley ID 1455379