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cis-2-Cyclohexyl-4-(4-pentenyl)-3,4-diphenyl-1,2-thiazetidine 1,1-dioxide
SpectraBase Compound ID FXUbrn5fUp8
InChI InChI=1S/C25H31NO2S/c1-2-3-13-20-25(22-16-9-5-10-17-22)24(21-14-7-4-8-15-21)26(29(25,27)28)23-18-11-6-12-19-23/h2,4-5,7-10,14-17,23-24H,1,3,6,11-13,18-20H2/t24-,25+/m1/s1
InChIKey VCQRFVVDZCIALX-RPBOFIJWSA-N
Mol Weight 409.59 g/mol
Molecular Formula C25H31NO2S
Exact Mass 409.20755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRhcUbRk7Ua
Name cis-2-Cyclohexyl-4-(4-pentenyl)-3,4-diphenyl-1,2-thiazetidine 1,1-dioxide
Comments Less than 3 mono-isotopic peaks
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Formula C25H31NO2S
InChI InChI=1S/C25H31NO2S/c1-2-3-13-20-25(22-16-9-5-10-17-22)24(21-14-7-4-8-15-21)26(29(25,27)28)23-18-11-6-12-19-23/h2,4-5,7-10,14-17,23-24H,1,3,6,11-13,18-20H2/t24-,25+/m1/s1
InChIKey VCQRFVVDZCIALX-RPBOFIJWSA-N
Molecular Weight 409.588 g/mol
SMILES [C@]1(N(S([C@]1(c1ccccc1)CCCC=C)(=O)=O)C1CCCCC1)(c1ccccc1)[H]
SPLASH splash10-0a4i-0900000000-8ce0cdb7833abb2a31d2
Source of Spectrum F-54-8967-15
Synonyms (3R,4S)-2-cyclohexyl-4-(4-pentenyl)-3,4-diphenyl-1,2-thiazetidine 1,1-dioxide
Wiley ID 807896