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(E)-3-[3'-(phenylthio)-1'-pentylprop-2'-enyl]butan-4-olide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(E)-3-[3'-(phenylthio)-1'-pentylprop-2'-enyl]butan-4-olide
SpectraBase Compound ID GCslZTYDgQs
InChI InChI=1S/C18H24O2S/c1-2-3-5-8-15(16-13-18(19)20-14-16)11-12-21-17-9-6-4-7-10-17/h4,6-7,9-12,15-16H,2-3,5,8,13-14H2,1H3/b12-11+
InChIKey WCNMCLNLIFZKKG-VAWYXSNFSA-N
Mol Weight 304.45 g/mol
Molecular Formula C18H24O2S
Exact Mass 304.149701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6L4qCLTeTQw
Name (E)-3-[3'-(Phenylthio)-1'-pentylprop-2'-enyl]butan-4-olide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.149701185 u
Formula C18H24O2S
InChI InChI=1S/C18H24O2S/c1-2-3-5-8-15(16-13-18(19)20-14-16)11-12-21-17-9-6-4-7-10-17/h4,6-7,9-12,15-16H,2-3,5,8,13-14H2,1H3/b12-11+
InChIKey WCNMCLNLIFZKKG-VAWYXSNFSA-N
Molecular Weight 304.448 g/mol
SMILES C1(OCC(C1)C(\C=C\SC=1C=CC=CC1)CCCCC)=O