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11-phenylsulfanylundecyl ethanoate
SpectraBase Compound ID 5LPJAsqPkqg
InChI InChI=1S/C19H30O2S/c1-18(20)21-16-12-7-5-3-2-4-6-8-13-17-22-19-14-10-9-11-15-19/h9-11,14-15H,2-8,12-13,16-17H2,1H3
InChIKey OPXHHFBAUBRDSF-UHFFFAOYSA-N
Mol Weight 322.51 g/mol
Molecular Formula C19H30O2S
Exact Mass 322.196651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6B8v8yF4eqd
Name 11-phenylsulfanylundecyl ethanoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O2S
InChI InChI=1S/C19H30O2S/c1-18(20)21-16-12-7-5-3-2-4-6-8-13-17-22-19-14-10-9-11-15-19/h9-11,14-15H,2-8,12-13,16-17H2,1H3
InChIKey OPXHHFBAUBRDSF-UHFFFAOYSA-N
Molecular Weight 322.507 g/mol
SMILES C(=O)(OCCCCCCCCCCCSc1ccccc1)C
SPLASH splash10-03k9-0809000000-e9e9b6f0559cb0253457
Source of Spectrum J-58-2412-20
Synonyms acetic acid 11-(phenylthio)undecyl ester
Wiley ID 1321828