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{phenyl[(1r,1'S,4r,8'aR)-4-chloro-1'-(propan-2-yl)-1',5',6',7',8',8'a-hexahydrospiro[cyclohexane-1,3'-isochromene]-4'-yl](methylimino)-.lambda.6- sulfanyl}one

View entire compound with spectra: 1 MS (GC)

{phenyl[(1r,1'S,4r,8'aR)-4-chloro-1'-(propan-2-yl)-1',5',6',7',8',8'a-hexahydrospiro[cyclohexane-1,3'-isochromene]-4'-yl](methylimino)-.lambda.6- sulfanyl}one
SpectraBase Compound ID Jf0RVhaS6dn
InChI InChI=1S/C24H34ClNO2S/c1-17(2)22-20-11-7-8-12-21(20)23(24(28-22)15-13-18(25)14-16-24)29(27,26-3)19-9-5-4-6-10-19/h4-6,9-10,17-18,20,22H,7-8,11-16H2,1-3H3/t18-,20-,22+,24-,29-/m1/s1
InChIKey OBUSEWPJNWBKBZ-NNEXSRDQSA-N
Mol Weight 436.1 g/mol
Molecular Formula C24H34ClNO2S
Exact Mass 435.199878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MQcoZXlkPA
Name {phenyl[(1r,1'S,4r,8'aR)-4-chloro-1'-(propan-2-yl)-1',5',6',7',8',8'a-hexahydrospiro[cyclohexane-1,3'-isochromene]-4'-yl](methylimino)-.lambda.6- sulfanyl}one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34ClNO2S
InChI InChI=1S/C24H34ClNO2S/c1-17(2)22-20-11-7-8-12-21(20)23(24(28-22)15-13-18(25)14-16-24)29(27,26-3)19-9-5-4-6-10-19/h4-6,9-10,17-18,20,22H,7-8,11-16H2,1-3H3/t18-,20-,22+,24-,29-/m1/s1
InChIKey OBUSEWPJNWBKBZ-NNEXSRDQSA-N
Literature Reference DOI 10.1021/ol800854s
Molecular Weight 436.054 g/mol
SMILES C1([S@](=O)(c2ccccc2)=NC)=C2[C@@](CCCC2)([C@@](O[C@]11CC[C@@](CC1)(Cl)[H])(C(C)C)[H])[H]
SPLASH splash10-0a4r-0985100000-0f145dfc13382b077f28
Source of Spectrum A1-10-2713/SMS33-25
Wiley ID 1759563