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

*Links on SpectraBase are not permalinks.
Ethyl ester of 2-(1-Buten-3-yl)-3-oxo-6-phenylsulfinyl-hexancarboxylic acid
SpectraBase Compound ID 585CHqt4MgN
InChI InChI=1S/C18H24O4S/c1-4-14(3)17(18(20)22-5-2)16(19)12-9-13-23(21)15-10-7-6-8-11-15/h4,6-8,10-11,14,17H,1,5,9,12-13H2,2-3H3
InChIKey LDHONAWUUNXECG-UHFFFAOYSA-N
Mol Weight 336.45 g/mol
Molecular Formula C18H24O4S
Exact Mass 336.13953 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 xEw3EqGtER
Name Ethyl ester of 2-(1-Buten-3-yl)-3-oxo-6-phenylsulfinyl-hexancarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O4S
InChI InChI=1S/C18H24O4S/c1-4-14(3)17(18(20)22-5-2)16(19)12-9-13-23(21)15-10-7-6-8-11-15/h4,6-8,10-11,14,17H,1,5,9,12-13H2,2-3H3
InChIKey LDHONAWUUNXECG-UHFFFAOYSA-N
Molecular Weight 336.446 g/mol
SMILES C(C(=O)OCC)(C(=O)CCCS(=O)c1ccccc1)C(C=C)C
SPLASH splash10-08fu-9610000000-5e3d03c74013f81fe72c
Source of Spectrum H-62-2651-0
Synonyms Ethyl 3-methyl-2-[4-(phenylsulfinyl)butanoyl]-4-pentenoate
Wiley ID 1332290