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1-(t-Butoxy)-7a-methyl-4-[1'-(phenylthio)butyl]-1,2,3,6,7,7a-hexahydro-5H-inden-5-one`
SpectraBase Compound ID C3nJK507zmB
InChI InChI=1S/C24H34O2S/c1-6-10-20(27-17-11-8-7-9-12-17)22-18-13-14-21(26-23(2,3)4)24(18,5)16-15-19(22)25/h7-9,11-12,20-21H,6,10,13-16H2,1-5H3/t20?,21-,24-/m0/s1
InChIKey LZNDHZGXZUPFGJ-AVJWOPLCSA-N
Mol Weight 386.6 g/mol
Molecular Formula C24H34O2S
Exact Mass 386.227952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NaVvnH0zI
Name 1-(t-Butoxy)-7a-methyl-4-[1'-(phenylthio)butyl]-1,2,3,6,7,7a-hexahydro-5H-inden-5-one`
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O2S
InChI InChI=1S/C24H34O2S/c1-6-10-20(27-17-11-8-7-9-12-17)22-18-13-14-21(26-23(2,3)4)24(18,5)16-15-19(22)25/h7-9,11-12,20-21H,6,10,13-16H2,1-5H3/t20?,21-,24-/m0/s1
InChIKey LZNDHZGXZUPFGJ-AVJWOPLCSA-N
Molecular Weight 386.594 g/mol
SMILES C12=C(C(Sc3ccccc3)CCC)C(=O)CC[C@@]1([C@@](OC(C)(C)C)(CC2)[H])C
SPLASH splash10-0abi-7094000000-4d1a6c386f9db32931b5
Source of Spectrum U-1994-667-4
Synonyms (1S,7aS)-1-tert-Butoxy-7a-methyl-4-(1-phenylsulfanyl-butyl)-1,2,3,6,7,7a-hexahydro-inden-5-one (1S,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-4-[1-(phenylthio)butyl]-2,3,6,7-tetrahydro-1H-inden-5-one (1S,7aS)-1-tert-butoxy-7a-methyl-4-(1-phenylsulfanylbutyl)-2,3,6,7-tetrahydro-1H-inden-5-one (1S,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-phenylsulfanylbutyl)-2,3,6,7-tetrahydro-1H-inden-5-one
Wiley ID 765954