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1-Isopropylsulphonyl-2,4,6-trinitrobenzene
SpectraBase Compound ID 8oVtzvzM9i7
InChI InChI=1S/C9H9N3O8S/c1-5(2)21(19,20)9-7(11(15)16)3-6(10(13)14)4-8(9)12(17)18/h3-5H,1-2H3
InChIKey JVEUWEGCXPYYBN-UHFFFAOYSA-N
Mol Weight 319.24 g/mol
Molecular Formula C9H9N3O8S
Exact Mass 319.011035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YSLaQlf6mK
Name 1-Isopropylsulphonyl-2,4,6-trinitrobenzene
CAS Registry Number 71466-52-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N3O8S
InChI InChI=1S/C9H9N3O8S/c1-5(2)21(19,20)9-7(11(15)16)3-6(10(13)14)4-8(9)12(17)18/h3-5H,1-2H3
InChIKey JVEUWEGCXPYYBN-UHFFFAOYSA-N
Molecular Weight 319.244 g/mol
SMILES c1(c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O)S(=O)(=O)C(C)C
SPLASH splash10-0006-9000000000-cab466870b9d7d12c540
Source of Spectrum KC-1979-472-0
Synonyms 2-(isopropylsulfonyl)-1,3,5-trinitrobenzene Benzene, 2-[(1-methylethyl)sulfonyl]-1,3,5-trinitro- isopropyl 2,4,6-trinitrophenyl sulfone 1,3,5-trinitro-2-propan-2-ylsulfonylbenzene 1,3,5-trinitro-2-propan-2-ylsulfonyl-benzene
Wiley ID 1319142