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

*Links on SpectraBase are not permalinks.
4-{4-[5-Amino-1-(4-chlorophenyl)-1H-1,2,4-triazol-3-ylamino]-5-oxo-2,5-dihydrofuran-2-yl}benzoic Acid
SpectraBase Compound ID Gds0toimWjN
InChI InChI=1S/C19H14ClN5O4/c20-12-5-7-13(8-6-12)25-18(21)23-19(24-25)22-14-9-15(29-17(14)28)10-1-3-11(4-2-10)16(26)27/h1-9,15H,(H,26,27)(H3,21,22,23,24)
InChIKey FTAIUXJUQNYYGQ-UHFFFAOYSA-N
Mol Weight 411.81 g/mol
Molecular Formula C19H14ClN5O4
Exact Mass 411.073432 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 EV5Gwawt4gt
Name 4-{4-[5-Amino-1-(4-chlorophenyl)-1H-1,2,4-triazol-3-ylamino]-5-oxo-2,5-dihydrofuran-2-yl}benzoic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14ClN5O4
InChI InChI=1S/C19H14ClN5O4/c20-12-5-7-13(8-6-12)25-18(21)23-19(24-25)22-14-9-15(29-17(14)28)10-1-3-11(4-2-10)16(26)27/h1-9,15H,(H,26,27)(H3,21,22,23,24)
InChIKey FTAIUXJUQNYYGQ-UHFFFAOYSA-N
Molecular Weight 411.805 g/mol
SMILES N(C1=CC(c2ccc(C(=O)O)cc2)OC1=O)c1nc([n](n1)-c1ccc(cc1)Cl)N
SPLASH splash10-0a4i-0090000000-44ba1ebe517eedeaae44
Source of Spectrum F4-43-1123-11e
Wiley ID 1675437