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Benzenecarbothioic acid, S-[2-(phenylseleno)decyl]ester
SpectraBase Compound ID 6Ei7dVznytl
InChI InChI=1S/C23H30OSSe/c1-2-3-4-5-6-11-18-22(26-21-16-12-8-13-17-21)19-24-23(25)20-14-9-7-10-15-20/h7-10,12-17,22H,2-6,11,18-19H2,1H3/t22-/m0/s1
InChIKey VXGIQYSCELVUAU-QFIPXVFZSA-N
Mol Weight 433.52 g/mol
Molecular Formula C23H30OSSe
Exact Mass 434.118259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9o1KQRKkQSY
Name Benzenecarbothioic acid, S-[2-(phenylseleno)decyl]ester
Alternate Name(s) O-[(2S)-2-(phenylselanyl)decyl]benzenecarbothioate S-2-(phenylseleno)-decyl thiobenzoate
CAS Registry Number 101327-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30OSSe
InChI InChI=1S/C23H30OSSe/c1-2-3-4-5-6-11-18-22(26-21-16-12-8-13-17-21)19-24-23(25)20-14-9-7-10-15-20/h7-10,12-17,22H,2-6,11,18-19H2,1H3/t22-/m0/s1
InChIKey VXGIQYSCELVUAU-QFIPXVFZSA-N
Molecular Weight 433.524 g/mol
SMILES C(=S)(OC[C@@]([Se]c1ccccc1)(CCCCCCCC)[H])c1ccccc1
SPLASH splash10-0a4i-0920000000-6b9a33f074f7b223d388
Source of Spectrum KC-1988-579-2
Wiley ID 1382909