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Benzenecarbothioic acid, 2,4,6-triethyl-, S-(1-methyl-2-phenylethyl) ester
SpectraBase Compound ID HfN1RItN656
InChI InChI=1S/C22H28OS/c1-5-17-14-19(6-2)21(20(7-3)15-17)22(23)24-16(4)13-18-11-9-8-10-12-18/h8-12,14-16H,5-7,13H2,1-4H3
InChIKey LJQXIUFBGMEBBF-UHFFFAOYSA-N
Mol Weight 340.53 g/mol
Molecular Formula C22H28OS
Exact Mass 340.186087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWtJ4Wh18NE
Name Benzenecarbothioic acid, 2,4,6-triethyl-, S-(1-methyl-2-phenylethyl) ester
Alternate Name(s) 2,4,6-Triethylbenzoyl-(2-phenyl-1-methyl)ethyl sulfide S-(1-methyl-2-phenylethyl) 2,4,6-triethylbenzenecarbothioate
CAS Registry Number 67902-82-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28OS
InChI InChI=1S/C22H28OS/c1-5-17-14-19(6-2)21(20(7-3)15-17)22(23)24-16(4)13-18-11-9-8-10-12-18/h8-12,14-16H,5-7,13H2,1-4H3
InChIKey LJQXIUFBGMEBBF-UHFFFAOYSA-N
Molecular Weight 340.525 g/mol
SMILES C(c1c(cc(cc1CC)CC)CC)(SC(Cc1ccccc1)C)=O
SPLASH splash10-000i-0900000000-ca631ecb2f1f6a11d643
Source of Spectrum C-100-5435-0
Wiley ID 1335532