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

*Links on SpectraBase are not permalinks.
2-Hydroxy-3-(phenylseleno)butenedioic Acid Dimethyl Ester p-Toluenesulfonate
SpectraBase Compound ID ByKAxY4UzEe
InChI InChI=1S/C19H18O7SSe/c1-13-9-11-14(12-10-13)27(22,23)26-16(18(20)24-2)17(19(21)25-3)28-15-7-5-4-6-8-15/h4-12H,1-3H3/b17-16+
InChIKey XGJKJUWMVNLCNK-WUKNDPDISA-N
Mol Weight 469.38 g/mol
Molecular Formula C19H18O7SSe
Exact Mass 469.993846 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 4Vkdthnrx8O
Name 2-Hydroxy-3-(phenylseleno)butenedioic Acid Dimethyl Ester p-Toluenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O7SSe
InChI InChI=1S/C19H18O7SSe/c1-13-9-11-14(12-10-13)27(22,23)26-16(18(20)24-2)17(19(21)25-3)28-15-7-5-4-6-8-15/h4-12H,1-3H3/b17-16+
InChIKey XGJKJUWMVNLCNK-WUKNDPDISA-N
Molecular Weight 469.378 g/mol
SMILES C(\C(=C\(OS(c1ccc(cc1)C)(=O)=O)C(=O)OC)[Se]c1ccccc1)(=O)OC
SPLASH splash10-0a4i-1290000000-8830b1732850d2ace013
Source of Spectrum J-56-2786-12
Synonyms Dimethyl (2E)-2-{[(4-methylphenyl)sulfonyl]oxy}-3-(phenylselanyl)-2-butenedioate
Wiley ID 1392720