SpectraBase Spectrum ID |
APmA9kJBVrO |
Name |
(5R)-5-Benzylidene-2-[5-(4-fluorophenyl)-3-phenyl-4,5-dihydropyrazol-1-yl]thiazol-4-one |
Appearance |
Yellow crystals |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C25H18FN3OS |
InChI |
InChI=1S/C25H18FN3OS/c26-20-13-11-19(12-14-20)22-16-21(18-9-5-2-6-10-18)28-29(22)25-27-24(30)23(31-25)15-17-7-3-1-4-8-17/h1-15,22H,16H2/t22-/m1/s1 |
InChIKey |
NQELSNGMLNQCMY-JOCHJYFZSA-N |
Instrument Name |
Shimadzu GCMS-QP 1000EX |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/jhet.2794 |
Molecular Weight |
427.497 g/mol |
SMILES |
c1(ccccc1)C=C1C(N=C(S1)N1N=C(C[C@@]1(c1ccc(cc1)F)[H])c1ccccc1)=O |
SPLASH |
splash10-001i-1901100000-ae8c00e257238820bf0e |
Source of Spectrum |
Y-54-1979-7a |
Wiley ID |
1878395 |