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Acenaphthylene, 1,2-dihydro-1-[(4-methylphenyl)thio]-2-(phenylthio)-, cis-
SpectraBase Compound ID 1onthFxxPvj
InChI InChI=1S/C25H20S2/c1-17-13-15-20(16-14-17)27-25-22-12-6-8-18-7-5-11-21(23(18)22)24(25)26-19-9-3-2-4-10-19/h2-16,24-25H,1H3/t24-,25+/m0/s1
InChIKey IOTIRKYCWHJYPN-LOSJGSFVSA-N
Mol Weight 384.56 g/mol
Molecular Formula C25H20S2
Exact Mass 384.100643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZaImB2e35s
Name Acenaphthylene, 1,2-dihydro-1-[(4-methylphenyl)thio]-2-(phenylthio)-, cis-
Alternate Name(s) (1R,2S)-1-[(4-methylphenyl)sulfanyl]-2-(phenylsulfanyl)-1,2-dihydroacenaphthylene cis-1-(para-tolylthio)-2-phenylthioacenaphthene
CAS Registry Number 97840-99-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20S2
InChI InChI=1S/C25H20S2/c1-17-13-15-20(16-14-17)27-25-22-12-6-8-18-7-5-11-21(23(18)22)24(25)26-19-9-3-2-4-10-19/h2-16,24-25H,1H3/t24-,25+/m0/s1
InChIKey IOTIRKYCWHJYPN-LOSJGSFVSA-N
Molecular Weight 384.555 g/mol
SMILES [C@]1([C@](c2cccc3c2c1ccc3)(Sc1ccccc1)[H])(Sc1ccc(cc1)C)[H]
SPLASH splash10-0imi-0391000000-a1224473a0439e599c86
Source of Spectrum O-20-231-6
Wiley ID 1361842