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Benzenecarbothioic acid, 2,4,6-triethyl-, S-(2-phenylethyl) ester
SpectraBase Compound ID JO7IaPVWeep
InChI InChI=1S/C21H26OS/c1-4-16-14-18(5-2)20(19(6-3)15-16)21(22)23-13-12-17-10-8-7-9-11-17/h7-11,14-15H,4-6,12-13H2,1-3H3
InChIKey IHVGYEYKGBPSRB-UHFFFAOYSA-N
Mol Weight 326.5 g/mol
Molecular Formula C21H26OS
Exact Mass 326.170437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J885324R4mG
Name Benzenecarbothioic acid, 2,4,6-triethyl-, S-(2-phenylethyl) ester
Alternate Name(s) S-(2-Phenylethyl) 2,4,6-triethylbenzenecarbothioate 2,4,6-triethylthiobenzoic acid S-phenethyl ester S-phenethyl 2,4,6-triethylbenzenecarbothioate
CAS Registry Number 64712-67-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26OS
InChI InChI=1S/C21H26OS/c1-4-16-14-18(5-2)20(19(6-3)15-16)21(22)23-13-12-17-10-8-7-9-11-17/h7-11,14-15H,4-6,12-13H2,1-3H3
InChIKey IHVGYEYKGBPSRB-UHFFFAOYSA-N
Molecular Weight 326.498 g/mol
SMILES CCc1cc(CC)c(c(c1)CC)C(=O)SCCc1ccccc1
SPLASH splash10-000i-0900000000-30569bb205aac8d15dbe
Source of Spectrum C-100-5435-0
Wiley ID 1325075