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HEXANITROBIBENZYL;HNBB
SpectraBase Compound ID ICcHeZjSGct
InChI InChI=1S/C14H8N6O12/c21-15(22)7-3-11(17(25)26)9(12(4-7)18(27)28)1-2-10-13(19(29)30)5-8(16(23)24)6-14(10)20(31)32/h3-6H,1-2H2
InChIKey VCAOQUOHRYQAPU-UHFFFAOYSA-N
Mol Weight 452.25 g/mol
Molecular Formula C14H8N6O12
Exact Mass 452.02002 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AticEnjQswo
Name 1,3,5-Trinitro-2-[2-(2,4,6-trinitrophenyl)ethyl]benzene
CAS Registry Number 5180-53-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8N6O12
InChI InChI=1S/C14H8N6O12/c21-15(22)7-3-11(17(25)26)9(12(4-7)18(27)28)1-2-10-13(19(29)30)5-8(16(23)24)6-14(10)20(31)32/h3-6H,1-2H2
InChIKey VCAOQUOHRYQAPU-UHFFFAOYSA-N
Molecular Weight 452.248 g/mol
SMILES c1c(cc(c(CCc2c(cc(cc2N(=O)=O)N(=O)=O)N(=O)=O)c1N(=O)=O)N(=O)=O)N(=O)=O
SPLASH splash10-004i-7950000000-75c747cbd7ceaa4e02bb
Source of Spectrum W5-1989-14178-1
Synonyms 1,3,5-trinitro-2-(2-picrylethyl)benzene 2,2',4,4',6,6'-Hexanitrodibenzyl
Wiley ID 1388077