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2-Chloro-5-nitro-3,6-bis(phenylsulfonyl)bicyclo[2.2.1]heptane

View entire compound with spectra: 1 MS (GC)

2-Chloro-5-nitro-3,6-bis(phenylsulfonyl)bicyclo[2.2.1]heptane
SpectraBase Compound ID AD0JJuYoR4A
InChI InChI=1S/C19H18ClNO6S2/c20-16-14-11-15(18(16)28(24,25)12-7-3-1-4-8-12)17(21(22)23)19(14)29(26,27)13-9-5-2-6-10-13/h1-10,14-19H,11H2/t14-,15-,16-,17-,18-,19-/m1/s1
InChIKey VIAJBTMAGMIDFJ-MGYGNFHQSA-N
Mol Weight 455.93 g/mol
Molecular Formula C19H18ClNO6S2
Exact Mass 455.026407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbyFKQCCpOH
Name 2-Chloro-5-nitro-3,6-bis(phenylsulfonyl)bicyclo[2.2.1]heptane
Alternate Name(s) (1S,*2R*,3R*,4R*,5R*,6R*)-2-Chloro-5-nitro-3,6-bis(phenylsulfonyl)bicyclo[2.2.1]heptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18ClNO6S2
InChI InChI=1S/C19H18ClNO6S2/c20-16-14-11-15(18(16)28(24,25)12-7-3-1-4-8-12)17(21(22)23)19(14)29(26,27)13-9-5-2-6-10-13/h1-10,14-19H,11H2/t14-,15-,16-,17-,18-,19-/m1/s1
InChIKey VIAJBTMAGMIDFJ-MGYGNFHQSA-N
Molecular Weight 455.927 g/mol
SMILES [C@]1([C@@]([C@]2(C[C@@]1([C@]([C@@]2(S(=O)(=O)c1ccccc1)[H])(Cl)[H])[H])[H])(N(=O)=O)[H])(S(=O)(=O)c1ccccc1)[H]
SPLASH splash10-0fbc-0921000000-88f134513272bbe1d003
Source of Spectrum KC-0-4354-21
Wiley ID 832119