2-(4-Chlorophenylthio)-2,5-cyclo-5-nitro-6-phenylbicyclo[2.2.1]heptane

SpectraBase Compound ID	1m42XcXKkrW
InChI	InChI=1S/C19H16ClNO2S/c20-12-6-8-13(9-7-12)24-18-14-10-15-17(18)19(15,21(22)23)16(14)11-4-2-1-3-5-11/h1-9,14-18H,10H2/t14-,15-,16+,17-,18-,19-/m1/s1
InChIKey	XCTKKWYBYDAEIF-RPVYPSMYSA-N Google Search
Mol Weight	357.86 g/mol
Molecular Formula	C19H16ClNO2S
Exact Mass	357.059028 g/mol

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SpectraBase Spectrum ID	JGd4brhDvee
Name	2-(4-Chlorophenylthio)-2,5-cyclo-5-nitro-6-phenylbicyclo[2.2.1]heptane
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H16ClNO2S
InChI	InChI=1S/C19H16ClNO2S/c20-12-6-8-13(9-7-12)24-18-14-10-15-17(18)19(15,21(22)23)16(14)11-4-2-1-3-5-11/h1-9,14-18H,10H2/t14-,15-,16+,17-,18-,19-/m1/s1
InChIKey	XCTKKWYBYDAEIF-RPVYPSMYSA-N
Molecular Weight	357.855 g/mol
SMILES	[C@]12([C@]3([C@](Sc4ccc(cc4)Cl)([C@@]([C@@]1(c1ccccc1)[H])(C[C@@]23[H])[H])[H])[H])N(=O)=O
SPLASH	splash10-066r-0906000000-1e7c04290e4e02571ce9
Source of Spectrum	KC-1993-2104-4
Synonyms	3-[(4-chlorophenyl)sulfanyl]-1-nitro-7-phenyltricyclo[2.2.1.0(2,6)]heptane 4-chlorophenyl 1-nitro-7-phenyltricyclo[2.2.1.0(2,6)]hept-3-yl sulfide
Wiley ID	779617