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1-(methylthio)-2-[(methylthio)-phenyl-methyl]-3-phenyl-4,5,6,7-tetrahydroisoindole
SpectraBase Compound ID 2NyZ8nG77zd
InChI InChI=1S/C23H25NS2/c1-25-22(18-13-7-4-8-14-18)24-21(17-11-5-3-6-12-17)19-15-9-10-16-20(19)23(24)26-2/h3-8,11-14,22H,9-10,15-16H2,1-2H3
InChIKey ALDJWLWAAGSWPO-UHFFFAOYSA-N
Mol Weight 379.58 g/mol
Molecular Formula C23H25NS2
Exact Mass 379.142842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BIhrosYOsv
Name 1-(methylthio)-2-[(methylthio)-phenyl-methyl]-3-phenyl-4,5,6,7-tetrahydroisoindole
CAS Registry Number 132058-90-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NS2
InChI InChI=1S/C23H25NS2/c1-25-22(18-13-7-4-8-14-18)24-21(17-11-5-3-6-12-17)19-15-9-10-16-20(19)23(24)26-2/h3-8,11-14,22H,9-10,15-16H2,1-2H3
InChIKey ALDJWLWAAGSWPO-UHFFFAOYSA-N
Molecular Weight 379.580 g/mol
SMILES c1([n](c(c2CCCCc12)-c1ccccc1)C(c1ccccc1)SC)SC
SPLASH splash10-0059-0009000000-8dcce7a806ea0a84642a
Source of Spectrum F-46-6779-12
Synonyms 1-methylsulfanyl-2-[methylsulfanyl(phenyl)methyl]-3-phenyl-4,5,6,7-tetrahydroisoindole
Wiley ID 1359363