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Bicyclo[2.2.1]heptan-2-one, 6-chloro-5-[(2-nitrophenyl)thio]-, (5-exo,6-endo)-(.+-.)-
SpectraBase Compound ID BCkftzTAjvZ
InChI InChI=1S/C13H12ClNO3S/c14-12-8-5-7(6-10(8)16)13(12)19-11-4-2-1-3-9(11)15(17)18/h1-4,7-8,12-13H,5-6H2/t7-,8+,12?,13?/m1/s1
InChIKey BTJBEGBDMWKLAE-JFGCWXGISA-N
Mol Weight 297.76 g/mol
Molecular Formula C13H12ClNO3S
Exact Mass 297.022642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9wx9gKzRaUe
Name Bicyclo[2.2.1]heptan-2-one, 6-chloro-5-[(2-nitrophenyl)thio]-, (5-exo,6-endo)-(.+-.)-
CAS Registry Number 126577-72-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12ClNO3S
InChI InChI=1S/C13H12ClNO3S/c14-12-8-5-7(6-10(8)16)13(12)19-11-4-2-1-3-9(11)15(17)18/h1-4,7-8,12-13H,5-6H2/t7-,8+,12?,13?/m1/s1
InChIKey BTJBEGBDMWKLAE-JFGCWXGISA-N
Molecular Weight 297.756 g/mol
SMILES c1(N(=O)=O)c(SC2[C@@]3(C[C@](C2Cl)(C(=O)C3)[H])[H])cccc1
SPLASH splash10-004i-9200000000-86f16ac5213d4da4e9bf
Source of Spectrum H-72-1022-23
Synonyms 6-Chloro-5-[(2-nitrophenyl)sulfanyl]bicyclo[2.2.1]heptan-2-one 6-endo-chloro-5-exo-(2-nitrobenzenesulfenyl)bicyclo[2.2.1]heptan-2-one
Wiley ID 1299950