For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(E,4R)-4-[1-oxo-2-(phenylthio)ethoxy]-2-heptenoic acid methyl ester
SpectraBase Compound ID DZpZmyh2F3V
InChI InChI=1S/C16H20O4S/c1-3-7-13(10-11-15(17)19-2)20-16(18)12-21-14-8-5-4-6-9-14/h4-6,8-11,13H,3,7,12H2,1-2H3/b11-10+/t13-/m1/s1
InChIKey FSCRLUUHXBKQAC-OCHBPSSRSA-N
Mol Weight 308.39 g/mol
Molecular Formula C16H20O4S
Exact Mass 308.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Ah3eEscpFQ4
Name (E,4R)-4-[1-oxo-2-(phenylthio)ethoxy]-2-heptenoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4S
InChI InChI=1S/C16H20O4S/c1-3-7-13(10-11-15(17)19-2)20-16(18)12-21-14-8-5-4-6-9-14/h4-6,8-11,13H,3,7,12H2,1-2H3/b11-10+/t13-/m1/s1
InChIKey FSCRLUUHXBKQAC-OCHBPSSRSA-N
Molecular Weight 308.392 g/mol
SMILES C(\C=C\[C@](OC(=O)CSc1ccccc1)(CCC)[H])(=O)OC
SPLASH splash10-00dl-0901000000-8d170a590b0257917fde
Source of Spectrum J-59-4468-5
Synonyms (E,4R)-4-[2-(phenylthio)acetyl]oxyhept-2-enoic acid methyl ester Methyl (E,4R)-4-(2-phenylsulfanylacetyl)oxyhept-2-enoate Methyl (E,4R)-4-(2-phenylsulfanylethanoyloxy)hept-2-enoate
Wiley ID 1309640