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1-[(2-Chlorocyclohexyl)sulfanyl]-2,4-dinitrobenzene
SpectraBase Compound ID 27YQZkdh9ul
InChI InChI=1S/C12H13ClN2O4S/c13-9-3-1-2-4-11(9)20-12-6-5-8(14(16)17)7-10(12)15(18)19/h5-7,9,11H,1-4H2
InChIKey LTAJOOMBQCYMBL-UHFFFAOYSA-N
Mol Weight 316.76 g/mol
Molecular Formula C12H13ClN2O4S
Exact Mass 316.028456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AmbwGB0Dy2y
Name 1-[(2-Chlorocyclohexyl)sulfanyl]-2,4-dinitrobenzene
CAS Registry Number 5330-96-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13ClN2O4S
InChI InChI=1S/C12H13ClN2O4S/c13-9-3-1-2-4-11(9)20-12-6-5-8(14(16)17)7-10(12)15(18)19/h5-7,9,11H,1-4H2
InChIKey LTAJOOMBQCYMBL-UHFFFAOYSA-N
Molecular Weight 316.759 g/mol
SMILES c1(ccc(cc1N(=O)=O)N(=O)=O)SC1C(CCCC1)Cl
SPLASH splash10-001i-9000000000-042147ef63783a3e40f9
Source of Spectrum AD-0-2532-0
Synonyms 1-(2-Chloranylcyclohexyl)sulfanyl-2,4-dinitro-benzene 1-[(2-chlorocyclohexyl)thio]-2,4-dinitro-benzene 2-Chlorocyclohexyl 2,4-dinitrophenyl sulfide Sulfide, 2-chlorocyclohexyl 2,4-dinitrophenyl 1-[(2-chlorocyclohexyl)thio]-2,4-dinitrobenzene 1-(2-Chlorocyclohexyl)sulfanyl-2,4-dinitrobenzene NSC 2543
Wiley ID 1424031