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Cyclopentanone, 3-(1,1-dimethylethoxy)-4-[1-[2-[(1,1-dimethylethyl)thio]ethenyl]hexyl]-, [3.alpha.,4.beta.[R*(E)]]-
SpectraBase Compound ID 4N8pTzl017a
InChI InChI=1S/C21H38O2S/c1-8-9-10-11-16(12-13-24-21(5,6)7)18-14-17(22)15-19(18)23-20(2,3)4/h12-13,16,18-19H,8-11,14-15H2,1-7H3/b13-12+/t16?,18-,19-/m0/s1
InChIKey IILKHAVNKAQHAY-OLARCKHOSA-N
Mol Weight 354.6 g/mol
Molecular Formula C21H38O2S
Exact Mass 354.259252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LG2I07xCx41
Name Cyclopentanone, 3-(1,1-dimethylethoxy)-4-[1-[2-[(1,1-dimethylethyl)thio]ethenyl]hexyl]-, [3.alpha.,4.beta.[R*(E)]]-
CAS Registry Number 112775-24-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O2S
InChI InChI=1S/C21H38O2S/c1-8-9-10-11-16(12-13-24-21(5,6)7)18-14-17(22)15-19(18)23-20(2,3)4/h12-13,16,18-19H,8-11,14-15H2,1-7H3/b13-12+/t16?,18-,19-/m0/s1
InChIKey IILKHAVNKAQHAY-OLARCKHOSA-N
Molecular Weight 354.593 g/mol
SMILES [C@@]1([C@@](CC(C1)=O)(C(\C=C\SC(C)(C)C)CCCCC)[H])(OC(C)(C)C)[H]
SPLASH splash10-0a4l-9210000000-3da9a3100c8d1d673f71
Source of Spectrum B-40-960-24
Synonyms (1'R(*),2'E,3S(*),4R(*))-3-t-butoxy-4-[3'-(t-butylthio)-1'-pentylprop-2'-enyl]cyclopentanone 354 (1'R(*),2E,3R(*),4S(*))-3-t-butoxy-4-[3'-(t-butylthio)-1'-pentylprop-2'-enyl]cyclopentanone (3S,4S)-3-tert-butoxy-4-[(2E)-3-(tert-butylsulfanyl)-1-pentyl-2-propenyl]cyclopentanone
Wiley ID 1344799