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3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanethioic acid S-benzyl ester
SpectraBase Compound ID 9yENtKqdkmM
InChI InChI=1S/C24H32O2S/c1-23(2,3)19-14-18(15-20(22(19)26)24(4,5)6)12-13-21(25)27-16-17-10-8-7-9-11-17/h7-11,14-15,26H,12-13,16H2,1-6H3
InChIKey DGDFUCWUTAHWNR-UHFFFAOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C24H32O2S
Exact Mass 384.212301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dP8QyKF9Pz
Name 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanethioic acid S-benzyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O2S
InChI InChI=1S/C24H32O2S/c1-23(2,3)19-14-18(15-20(22(19)26)24(4,5)6)12-13-21(25)27-16-17-10-8-7-9-11-17/h7-11,14-15,26H,12-13,16H2,1-6H3
InChIKey DGDFUCWUTAHWNR-UHFFFAOYSA-N
Molecular Weight 384.578 g/mol
SMILES Oc1c(C(C)(C)C)cc(cc1C(C)(C)C)CCC(SCc1ccccc1)=O
SPLASH splash10-00lr-1089000000-b9e0371eb097887f5216
Source of Spectrum F-70-1339-5
Synonyms 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanethioic acid S-(phenylmethyl) ester S-(phenylmethyl) 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanethioate S-benzyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanethioate
Wiley ID 1596240