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Benzene, 1,1'-(1,2-dimethyl-1-nitro-1,2-ethanediyl)bis[4-nitro-, (R*,R*)-(.+-.)-
SpectraBase Compound ID 4KZSl8SiR4W
InChI InChI=1S/C16H15N3O6/c1-11(12-3-7-14(8-4-12)17(20)21)16(2,19(24)25)13-5-9-15(10-6-13)18(22)23/h3-11H,1-2H3/t11-,16-/m1/s1
InChIKey KCHKRWLPDPUHLO-BDJLRTHQSA-N
Mol Weight 345.31 g/mol
Molecular Formula C16H15N3O6
Exact Mass 345.096085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53aRPR9lkO
Name Benzene, 1,1'-(1,2-dimethyl-1-nitro-1,2-ethanediyl)bis[4-nitro-, (R*,R*)-(.+-.)-
Alternate Name(s) (2RS,3RS)-2-nitro-2,3-bis(p-nitrophenyl)butane 1-[(1R,2R)-1-methyl-2-nitro-2-(4-nitrophenyl)propyl]-4-nitrobenzene
CAS Registry Number 72511-09-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3O6
InChI InChI=1S/C16H15N3O6/c1-11(12-3-7-14(8-4-12)17(20)21)16(2,19(24)25)13-5-9-15(10-6-13)18(22)23/h3-11H,1-2H3/t11-,16-/m1/s1
InChIKey KCHKRWLPDPUHLO-BDJLRTHQSA-N
Molecular Weight 345.311 g/mol
SMILES [C@](N(=O)=O)([C@@](c1ccc(N(=O)=O)cc1)(C)[H])(c1ccc(N(=O)=O)cc1)C
SPLASH splash10-0ue9-9810000000-cdb8261eed72979802de
Source of Spectrum B-32-1502-0
Wiley ID 1338541