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Ethyl 2,3-dimethyl-2-phenylthioheptanoate
SpectraBase Compound ID D7vdAgP5rG3
InChI InChI=1S/C17H26O2S/c1-5-7-11-14(3)17(4,16(18)19-6-2)20-15-12-9-8-10-13-15/h8-10,12-14H,5-7,11H2,1-4H3
InChIKey BYMWXLSKDQYARY-UHFFFAOYSA-N
Mol Weight 294.45 g/mol
Molecular Formula C17H26O2S
Exact Mass 294.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Vl9tK0yjzq
Name Ethyl 2,3-dimethyl-2-phenylthioheptanoate
CAS Registry Number 109542-30-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O2S
InChI InChI=1S/C17H26O2S/c1-5-7-11-14(3)17(4,16(18)19-6-2)20-15-12-9-8-10-13-15/h8-10,12-14H,5-7,11H2,1-4H3
InChIKey BYMWXLSKDQYARY-UHFFFAOYSA-N
Molecular Weight 294.453 g/mol
SMILES C(C(=O)OCC)(Sc1ccccc1)(C(CCCC)C)C
SPLASH splash10-00du-0390000000-da7532914c3a3567f255
Source of Spectrum KC-1986-1951-13
Synonyms Ethyl 2,3-dimethyl-2-(phenylsulfanyl)heptanoate
Wiley ID 1297243