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Cyclohepta[c]pyrrole, 2,4,5,6,7,8-hexahydro-1-(methylthio)-2-[(methylthio)phenylmethyl]-3-phenyl-
SpectraBase Compound ID 4XUxy7Qhy63
InChI InChI=1S/C24H27NS2/c1-26-23(19-14-8-4-9-15-19)25-22(18-12-6-3-7-13-18)20-16-10-5-11-17-21(20)24(25)27-2/h3-4,6-9,12-15,23H,5,10-11,16-17H2,1-2H3
InChIKey FXIXVJPHNYGOPQ-UHFFFAOYSA-N
Mol Weight 393.61 g/mol
Molecular Formula C24H27NS2
Exact Mass 393.158492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2InXJWI00Tr
Name Cyclohepta[c]pyrrole, 2,4,5,6,7,8-hexahydro-1-(methylthio)-2-[(methylthio)phenylmethyl]-3-phenyl-
Alternate Name(s) 1-(methylsulfanyl)-2-[(methylsulfanyl)(phenyl)methyl]-3-phenyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrole 1-n(.alpha.-methylthiobenzyl)-2-(methylthio)-8-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrole
CAS Registry Number 132059-02-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27NS2
InChI InChI=1S/C24H27NS2/c1-26-23(19-14-8-4-9-15-19)25-22(18-12-6-3-7-13-18)20-16-10-5-11-17-21(20)24(25)27-2/h3-4,6-9,12-15,23H,5,10-11,16-17H2,1-2H3
InChIKey FXIXVJPHNYGOPQ-UHFFFAOYSA-N
Molecular Weight 393.607 g/mol
SMILES c1([n](c(c2CCCCCc12)-c1ccccc1)C(c1ccccc1)SC)SC
SPLASH splash10-0006-0009000000-4d3eff0f6ec608c8b333
Source of Spectrum F-46-6779-12
Wiley ID 1366336