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

*Links on SpectraBase are not permalinks.

3-((2Z)-2-((2Z)-2-[1-(2-Hydroxyethyl)-5-oxo-3-propyl-2-thioxo-4-imidazolidinylidene]ethylidene)-1,3-benzoxazol-3(2H)-yl)propanoic acid

View entire compound with spectra: 2 MS (GC)

3-((2Z)-2-((2Z)-2-[1-(2-Hydroxyethyl)-5-oxo-3-propyl-2-thioxo-4-imidazolidinylidene]ethylidene)-1,3-benzoxazol-3(2H)-yl)propanoic acid
SpectraBase Compound ID 3Kg8ppXDNCN
InChI InChI=1S/C20H23N3O5S/c1-2-10-22-15(19(27)23(12-13-24)20(22)29)7-8-17-21(11-9-18(25)26)14-5-3-4-6-16(14)28-17/h3-8,24H,2,9-13H2,1H3,(H,25,26)/b15-7+,17-8+
InChIKey JOROOBAQOSGEII-GXZANXLRSA-N
Mol Weight 417.48 g/mol
Molecular Formula C20H23N3O5S
Exact Mass 417.135842 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 Jr3VyMOtLjU
Name 2-{2-[1-(2-HYDROXYETHYL)-5-OXO-3-PROPYL-2-THIOXO-4-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H23N3O5S
InChI InChI=1S/C20H23N3O5S/c1-2-10-22-15(19(27)23(12-13-24)20(22)29)7-8-17-21(11-9-18(25)26)14-5-3-4-6-16(14)28-17/h3-8,24H,2,9-13H2,1H3,(H,25,26)/b15-7+,17-8+
InChIKey JOROOBAQOSGEII-GXZANXLRSA-N
Molecular Weight 417.1353
SMILES OCCN1C(\C(=C/C=C\2N(CCC(O)=O)c3ccccc3O2)N(C1=S)CCC)=O
SPLASH splash10-0006-9300000000-18655e5e861da1d63270
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany