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Benzenecarbothioic acid, 2,4,6-triethyl-, S-(2-hydroxy-1-methyl-2-phenylethyl) ester
SpectraBase Compound ID ItiSNWAiKOE
InChI InChI=1S/C22H28O2S/c1-5-16-13-17(6-2)20(18(7-3)14-16)22(24)25-15(4)21(23)19-11-9-8-10-12-19/h8-15,21,23H,5-7H2,1-4H3
InChIKey PPROMCFZYKRGLT-UHFFFAOYSA-N
Mol Weight 356.52 g/mol
Molecular Formula C22H28O2S
Exact Mass 356.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BdbaaBvbCUB
Name Benzenecarbothioic acid, 2,4,6-triethyl-, S-(2-hydroxy-1-methyl-2-phenylethyl) ester
CAS Registry Number 67902-81-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O2S
InChI InChI=1S/C22H28O2S/c1-5-16-13-17(6-2)20(18(7-3)14-16)22(24)25-15(4)21(23)19-11-9-8-10-12-19/h8-15,21,23H,5-7H2,1-4H3
InChIKey PPROMCFZYKRGLT-UHFFFAOYSA-N
Molecular Weight 356.524 g/mol
SMILES OC(C(SC(c1c(cc(CC)cc1CC)CC)=O)C)c1ccccc1
SPLASH splash10-000i-0900000000-3c58ea19131a026724cf
Source of Spectrum C-100-5435-0
Synonyms 1-Methyl-2-hydroxy-2-phenyl ethyl-2,4,6-triethyl benzoyl sulfide O-[(2S)-2-hydroxy-1-methyl-2-phenylethyl]2,4,6-triethylbenzenecarbothioate 2,4,6-triethylbenzenecarbothioic acid O-[(1S)-1-hydroxy-1-phenylpropan-2-yl] ester O-[(1S)-1-hydroxy-1-phenylpropan-2-yl] 2,4,6-triethylbenzenecarbothioate O-[(2S)-2-hydroxy-1-methyl-2-phenyl-ethyl] 2,4,6-triethylbenzenecarbothioate O-[(1S)-1-oxidanyl-1-phenyl-propan-2-yl] 2,4,6-triethylbenzenecarbothioate
Wiley ID 1346031