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3-Pentenoic acid, 2,2-diethyl-4-(phenylthio)-, butyl ester, (E)-
SpectraBase Compound ID 5dZfx73dWay
InChI InChI=1S/C19H28O2S/c1-5-8-14-21-18(20)19(6-2,7-3)15-16(4)22-17-12-10-9-11-13-17/h9-13,15H,5-8,14H2,1-4H3/b16-15+
InChIKey CCSJOXHIDYHLHC-FOCLMDBBSA-N
Mol Weight 320.49 g/mol
Molecular Formula C19H28O2S
Exact Mass 320.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvVIUmoiU0Y
Name 3-Pentenoic acid, 2,2-diethyl-4-(phenylthio)-, butyl ester, (E)-
CAS Registry Number 88088-08-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O2S
InChI InChI=1S/C19H28O2S/c1-5-8-14-21-18(20)19(6-2,7-3)15-16(4)22-17-12-10-9-11-13-17/h9-13,15H,5-8,14H2,1-4H3/b16-15+
InChIKey CCSJOXHIDYHLHC-FOCLMDBBSA-N
Molecular Weight 320.491 g/mol
SMILES C(\C=C/(Sc1ccccc1)C)(C(=O)OCCCC)(CC)CC
SPLASH splash10-014i-0390000000-a0fcd479ac242a305c9f
Source of Spectrum KC-1986-1956-39
Wiley ID 1320249