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

*Links on SpectraBase are not permalinks.
2-[[(4Z)-1-butyl-5-oxo-4-(phenylmethylene)-2-imidazolyl]thio]acetic acid methyl ester
SpectraBase Compound ID FwxLZivek73
InChI InChI=1S/C17H20N2O3S/c1-3-4-10-19-16(21)14(11-13-8-6-5-7-9-13)18-17(19)23-12-15(20)22-2/h5-9,11H,3-4,10,12H2,1-2H3/b14-11-
InChIKey IYNGVYKDMLCQGS-KAMYIIQDSA-N
Mol Weight 332.42 g/mol
Molecular Formula C17H20N2O3S
Exact Mass 332.119464 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 Bs2ttItPkoc
Name 2-[[(4Z)-1-butyl-5-oxo-4-(phenylmethylene)-2-imidazolyl]thio]acetic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N2O3S
InChI InChI=1S/C17H20N2O3S/c1-3-4-10-19-16(21)14(11-13-8-6-5-7-9-13)18-17(19)23-12-15(20)22-2/h5-9,11H,3-4,10,12H2,1-2H3/b14-11-
InChIKey IYNGVYKDMLCQGS-KAMYIIQDSA-N
Molecular Weight 332.418 g/mol
SMILES C=1(N(C(\C(N1)=C\c1ccccc1)=O)CCCC)SCC(=O)OC
SPLASH splash10-05qi-0789000000-2953c052115fa230ba05
Source of Spectrum OP-35-395-4
Synonyms 2-[[(4Z)-4-benzal-1-butyl-5-keto-2-imidazolin-2-yl]thio]acetic acid methyl ester Methyl 2-[(4Z)-1-butyl-5-oxidanylidene-4-(phenylmethylidene)imidazol-2-yl]sulfanylethanoate Methyl 2-[(4Z)-4-benzylidene-1-butyl-5-oxo-imidazol-2-yl]sulfanylacetate
Wiley ID 1577731