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3-bicyclo[1.1.1]pentanyl-(4-chlorophenyl)imino-oxo-phenyl-.lambda.(6)-sulfane
SpectraBase Compound ID BaA9Z3P99BS
InChI InChI=1S/C17H16ClNOS/c18-14-6-8-15(9-7-14)19-21(20,16-4-2-1-3-5-16)17-10-13(11-17)12-17/h1-9,13H,10-12H2
InChIKey NVDBEHXDGKUWAW-UHFFFAOYSA-N
Mol Weight 317.83 g/mol
Molecular Formula C17H16ClNOS
Exact Mass 317.064113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4juRpSU5JY
Name 3-bicyclo[1.1.1]pentanyl-(4-chlorophenyl)imino-oxo-phenyl-.lambda.(6)-sulfane
Appearance Brown solid
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Formula C17H16ClNOS
InChI InChI=1S/C17H16ClNOS/c18-14-6-8-15(9-7-14)19-21(20,16-4-2-1-3-5-16)17-10-13(11-17)12-17/h1-9,13H,10-12H2
InChIKey NVDBEHXDGKUWAW-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201901453
Molecular Weight 317.834 g/mol
Reported Formula C17H16(35)ClNO(32)S
SMILES c1(N=S(=O)(c2ccccc2)C23CC(C3)C2)ccc(cc1)Cl
SPLASH splash10-004i-4900000000-0f486150acf81aa75f55
Source of Spectrum ASC-362-SM18-10d
Thin-Layer Chromatography Rf = 0.13 (cHex/EtOAc, 10:1)
Wiley ID 1839406