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trans-2-Cyclohexyl-4-(5-hexenyl)-3,4-diphenyl-1,2-thiazetidine 1,1-dioxide
SpectraBase Compound ID 5S1vjwPj5iK
InChI InChI=1S/C26H33NO2S/c1-2-3-4-14-21-26(23-17-10-6-11-18-23)25(22-15-8-5-9-16-22)27(30(26,28)29)24-19-12-7-13-20-24/h2,5-6,8-11,15-18,24-25H,1,3-4,7,12-14,19-21H2/t25-,26-/m1/s1
InChIKey KXWCKUPHJRIZSF-CLJLJLNGSA-N
Mol Weight 423.6 g/mol
Molecular Formula C26H33NO2S
Exact Mass 423.2232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QxvSkVY6cL
Name trans-2-Cyclohexyl-4-(5-hexenyl)-3,4-diphenyl-1,2-thiazetidine 1,1-dioxide
Alternate Name(s) (3R,4R)-2-cyclohexyl-4-(5-hexenyl)-3,4-diphenyl-1,2-thiazetidine 1,1-dioxide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33NO2S
InChI InChI=1S/C26H33NO2S/c1-2-3-4-14-21-26(23-17-10-6-11-18-23)25(22-15-8-5-9-16-22)27(30(26,28)29)24-19-12-7-13-20-24/h2,5-6,8-11,15-18,24-25H,1,3-4,7,12-14,19-21H2/t25-,26-/m1/s1
InChIKey KXWCKUPHJRIZSF-CLJLJLNGSA-N
Molecular Weight 423.615 g/mol
SMILES [C@]1(N(S([C@@]1(c1ccccc1)CCCCC=C)(=O)=O)C1CCCCC1)(c1ccccc1)[H]
SPLASH splash10-004i-0090000000-c80aeaf2bc2ca1f386fb
Source of Spectrum F-54-8968-15
Wiley ID 807894