SpectraBase Spectrum ID |
B4PfBwT4TId |
Name |
(S)-2-(4-hydroxyphenyl)-4,5-dihydrothiazole-4-carboxylic acid |
Appearance |
Colorless solid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C10H9NO3S |
InChI |
InChI=1S/C10H9NO3S/c12-7-3-1-6(2-4-7)9-11-8(5-15-9)10(13)14/h1-4,8,12H,5H2,(H,13,14)/t8-/m1/s1 |
InChIKey |
PTRSPGLUBRKDQT-MRVPVSSYSA-N |
Instrument Name |
JMS-600H |
Ionization Type |
EI |
Molecular Weight |
223.246 g/mol |
Optical Rotation |
[a]22 = +6.6979 (c = 0.7692, CH3 OH) |
SMILES |
OC([C@]1(CSC(c2ccc(cc2)O)=N1)[H])=O |
SPLASH |
splash10-004i-0920000000-715a802b6e6bb8730041 |
Source of Spectrum |
US20110033878A1 |
Wiley ID |
1861619 |