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Benzenecarbothioic acid, S-[2-chloro-2-(trimethylsilyl)octyl]ester
SpectraBase Compound ID HVtLZsMbkVl
InChI InChI=1S/C18H29ClOSSi/c1-5-6-7-11-14-18(19,22(2,3)4)15-20-17(21)16-12-9-8-10-13-16/h8-10,12-13H,5-7,11,14-15H2,1-4H3/t18-/m1/s1
InChIKey ZYFCMENPMYLLKL-GOSISDBHSA-N
Mol Weight 357.03 g/mol
Molecular Formula C18H29ClOSSi
Exact Mass 356.139691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DuQr1ZsSPX
Name Benzenecarbothioic acid, S-[2-chloro-2-(trimethylsilyl)octyl]ester
Alternate Name(s) O-[(2S)-2-chloro-2-(trimethylsilyl)octyl]benzenecarbothioate S-2-chloro-2-(trimethylsilyl)octyl thiobenxoate
CAS Registry Number 127801-32-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H29ClOSSi
InChI InChI=1S/C18H29ClOSSi/c1-5-6-7-11-14-18(19,22(2,3)4)15-20-17(21)16-12-9-8-10-13-16/h8-10,12-13H,5-7,11,14-15H2,1-4H3/t18-/m1/s1
InChIKey ZYFCMENPMYLLKL-GOSISDBHSA-N
Molecular Weight 357.027 g/mol
SMILES [C@]([Si](C)(C)C)(COC(=S)c1ccccc1)(Cl)CCCCCC
SPLASH splash10-0a4i-0901000000-0693315266797b2f4653
Source of Spectrum KC-1989-1929-7
Wiley ID 1345691