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Acenaphthylene, 1-[(4-chlorophenyl)thio]-1,2-dihydro-2-(phenylthio)-, cis-
SpectraBase Compound ID 9OZScLqudeo
InChI InChI=1S/C24H17ClS2/c25-17-12-14-19(15-13-17)27-24-21-11-5-7-16-6-4-10-20(22(16)21)23(24)26-18-8-2-1-3-9-18/h1-15,23-24H/t23-,24+/m0/s1
InChIKey YAAKOJIAGYARHF-BJKOFHAPSA-N
Mol Weight 404.97 g/mol
Molecular Formula C24H17ClS2
Exact Mass 404.046021 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 28pfxCZnvFi
Name Acenaphthylene, 1-[(4-chlorophenyl)thio]-1,2-dihydro-2-(phenylthio)-, cis-
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 404.046020595 u
Formula C24H17ClS2
InChI InChI=1S/C24H17ClS2/c25-17-12-14-19(15-13-17)27-24-21-11-5-7-16-6-4-10-20(22(16)21)23(24)26-18-8-2-1-3-9-18/h1-15,23-24H/t23-,24+/m0/s1
InChIKey YAAKOJIAGYARHF-BJKOFHAPSA-N
Molecular Weight 404.973 g/mol
SMILES [C@]1([C@](C=2C=CC=C3C2C1=CC=C3)(SC=1C=CC=CC1)[H])(SC1=CC=C(C=C1)Cl)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890943