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endo-3-chloro-exo-4-[(2,4-dinitrophenyl)thio]bicyclo[3.2.1]octane-6-one
SpectraBase Compound ID BOMtSbN8bzz
InChI InChI=1S/C14H13ClN2O5S/c15-10-4-7-3-9(12(18)5-7)14(10)23-13-2-1-8(16(19)20)6-11(13)17(21)22/h1-2,6-7,9-10,14H,3-5H2
InChIKey PYAUWXQHAVUROS-UHFFFAOYSA-N
Mol Weight 356.78 g/mol
Molecular Formula C14H13ClN2O5S
Exact Mass 356.02337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RiwQHecO1g
Name endo-3-chloro-exo-4-[(2,4-dinitrophenyl)thio]bicyclo[3.2.1]octane-6-one
CAS Registry Number 109637-60-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13ClN2O5S
InChI InChI=1S/C14H13ClN2O5S/c15-10-4-7-3-9(12(18)5-7)14(10)23-13-2-1-8(16(19)20)6-11(13)17(21)22/h1-2,6-7,9-10,14H,3-5H2
InChIKey PYAUWXQHAVUROS-UHFFFAOYSA-N
Molecular Weight 356.780 g/mol
SMILES c1(N(=O)=O)cc(N(=O)=O)ccc1SC1C2C(CC(CC1Cl)C2)=O
SPLASH splash10-004i-9000000000-d32bbbded0014f5c693d
Source of Spectrum K-120-1727-8
Synonyms 3-Chloro-4-[(2,4-dinitrophenyl)sulfanyl]bicyclo[3.2.1]octan-6-one
Wiley ID 1345516