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

*Links on SpectraBase are not permalinks.
3-[5-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoic acid
SpectraBase Compound ID HuPEPcVGA6f
InChI InChI=1S/C18H14F3NO2S/c19-18(20,21)12-3-1-4-14(11-12)22-13(7-9-17(23)24)6-8-15(22)16-5-2-10-25-16/h1-6,8,10-11H,7,9H2,(H,23,24)
InChIKey ZTLIKPNBASSACQ-UHFFFAOYSA-N
Mol Weight 365.37 g/mol
Molecular Formula C18H14F3NO2S
Exact Mass 365.069734 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 G2slcTZjuNQ
Name 3-[5-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoic acid
Alternate Name(s) 3-[5-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propionic acid 3-[5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-2-pyrrolyl]propanoic acid 3-[5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14F3NO2S
InChI InChI=1S/C18H14F3NO2S/c19-18(20,21)12-3-1-4-14(11-12)22-13(7-9-17(23)24)6-8-15(22)16-5-2-10-25-16/h1-6,8,10-11H,7,9H2,(H,23,24)
InChIKey ZTLIKPNBASSACQ-UHFFFAOYSA-N
Molecular Weight 365.370 g/mol
SMILES OC(CCc1[n](c(cc1)-c1sccc1)-c1cc(C(F)(F)F)ccc1)=O
SPLASH splash10-0a4i-9523000000-e801e1f9ccb1b16ebdaf
Wiley ID 1443175