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

*Links on SpectraBase are not permalinks.
3-[1-(4-chloranyl-2-methyl-phenyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid
SpectraBase Compound ID GlRMqJIBQx4
InChI InChI=1S/C18H16ClNO2S/c1-12-11-13(19)4-7-15(12)20-14(6-9-18(21)22)5-8-16(20)17-3-2-10-23-17/h2-5,7-8,10-11H,6,9H2,1H3,(H,21,22)
InChIKey RRFBMBYXYJTWME-UHFFFAOYSA-N
Mol Weight 345.84 g/mol
Molecular Formula C18H16ClNO2S
Exact Mass 345.059028 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 LkMyqFgF2el
Name 3-[1-(4-chloranyl-2-methyl-phenyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16ClNO2S
InChI InChI=1S/C18H16ClNO2S/c1-12-11-13(19)4-7-15(12)20-14(6-9-18(21)22)5-8-16(20)17-3-2-10-23-17/h2-5,7-8,10-11H,6,9H2,1H3,(H,21,22)
InChIKey RRFBMBYXYJTWME-UHFFFAOYSA-N
Molecular Weight 345.844 g/mol
SMILES OC(CCc1[n](c(cc1)-c1sccc1)-c1c(cc(cc1)Cl)C)=O
SPLASH splash10-000i-1391000000-6fb46b3bf2a941d4eb8e
Synonyms 3-[1-(4-chloro-2-methyl-phenyl)-5-(2-thienyl)pyrrol-2-yl]propanoic acid 3-[1-(4-chloro-2-methyl-phenyl)-5-(2-thienyl)pyrrol-2-yl]propionic acid 3-[1-(4-chloro-2-methylphenyl)-5-thiophen-2-yl-2-pyrrolyl]propanoic acid 3-[1-(4-chloro-2-methylphenyl)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid
Wiley ID 1443878