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4(S)-Chloro-5(S)-(2',2'-dichloro-1'-nitrovinyl)-1-methyl-4-nitrocyclohex-1-ene
SpectraBase Compound ID AP7GFQ1DPFC
InChI InChI=1S/C9H9Cl3N2O4/c1-5-2-3-9(12,14(17)18)6(4-5)7(8(10)11)13(15)16/h2,6H,3-4H2,1H3/t6-,9+/m0/s1
InChIKey DNFJAYASIPDJFK-IMTBSYHQSA-N
Mol Weight 315.54 g/mol
Molecular Formula C9H9Cl3N2O4
Exact Mass 313.96279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zPQvw72yiX
Name 4(S)-Chloro-5(S)-(2',2'-dichloro-1'-nitrovinyl)-1-methyl-4-nitrocyclohex-1-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9Cl3N2O4
InChI InChI=1S/C9H9Cl3N2O4/c1-5-2-3-9(12,14(17)18)6(4-5)7(8(10)11)13(15)16/h2,6H,3-4H2,1H3/t6-,9+/m0/s1
InChIKey DNFJAYASIPDJFK-IMTBSYHQSA-N
Molecular Weight 315.540 g/mol
SMILES C([C@]1([C@](N(=O)=O)(CC=C(C1)C)Cl)[H])(N(=O)=O)=C(Cl)Cl
SPLASH splash10-014j-0910000000-4359e8522fc4c69a4182
Source of Spectrum D1-2006-3468-6
Synonyms (4S,5S)-4-chloro-5-(2,2-dichloro-1-nitrovinyl)-1-methyl-4-nitro-1-cyclohexene 4-Chloro-5-(2',2'-dichloro-1'-nitrovinyl)-1-methyl-4-nitrocyclohex-1-ene
Wiley ID 1614372