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Bicyclo[2.2.1]heptan-2-one, 6-chloro-5-[(2,4-dinitrophenyl)thio]-, (5-exo,6-endo)-(.+-.)-
SpectraBase Compound ID 5PxoxhgmM0B
InChI InChI=1S/C13H11ClN2O5S/c14-12-8-3-6(4-10(8)17)13(12)22-11-2-1-7(15(18)19)5-9(11)16(20)21/h1-2,5-6,8,12-13H,3-4H2/t6-,8+,12?,13?/m1/s1
InChIKey SSIPQXWTQMJLBN-TZWJFLTJSA-N
Mol Weight 342.75 g/mol
Molecular Formula C13H11ClN2O5S
Exact Mass 342.00772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1T72u3tVDfU
Name Bicyclo[2.2.1]heptan-2-one, 6-chloro-5-[(2,4-dinitrophenyl)thio]-, (5-exo,6-endo)-(.+-.)-
CAS Registry Number 126577-73-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11ClN2O5S
InChI InChI=1S/C13H11ClN2O5S/c14-12-8-3-6(4-10(8)17)13(12)22-11-2-1-7(15(18)19)5-9(11)16(20)21/h1-2,5-6,8,12-13H,3-4H2/t6-,8+,12?,13?/m1/s1
InChIKey SSIPQXWTQMJLBN-TZWJFLTJSA-N
Molecular Weight 342.753 g/mol
SMILES c1(N(=O)=O)cc(N(=O)=O)ccc1SC1[C@@]2(C[C@](C1Cl)(C(=O)C2)[H])[H]
SPLASH splash10-056r-9100000000-b58d048cb7b4156c76eb
Source of Spectrum H-72-1022-24
Synonyms 6-Chloro-5-[(2,4-dinitrophenyl)sulfanyl]bicyclo[2.2.1]heptan-2-one 6-endo-chloro-5-exo-(2,4-dinitrobenzenesulfenyl)bicyclo[2.2.1]heptan-2-one
Wiley ID 1336219