| SpectraBase Spectrum ID |
8ValzzvZHxc |
| Name |
4-[4-butyl-2-[4-butyl-5-(4-carboxyphenyl)thiazol-2-yl]thiazol-5-yl]benzoic acid |
| Appearance |
Light yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
520.149049734 u |
| Formula |
C28H28N2O4S2 |
| InChI |
InChI=1S/C28H28N2O4S2/c1-3-5-7-21-23(17-9-13-19(14-10-17)27(31)32)35-25(29-21)26-30-22(8-6-4-2)24(36-26)18-11-15-20(16-12-18)28(33)34/h9-16H,3-8H2,1-2H3,(H,31,32)(H,33,34) |
| InChIKey |
BVCPPKXOIPWHAK-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo302706t |
| Molecular Weight |
520.662 g/mol |
| Quality |
35 |
| SMILES |
OC(C1=CC=C(C=2SC(C=3SC(C4=CC=C(C(=O)O)C=C4)=C(N3)CCCC)=NC2CCCC)C=C1)=O |
| SPLASH |
splash10-004i-0000900000-2e76fcf66fd2aa08936b |
| Source of Spectrum |
JOC-78-SM24-2BA2TZ (DOI: 10.1021/jo302706t) |
| Wiley ID |
1912377 |
![4-[4-butyl-2-[4-butyl-5-(4-carboxyphenyl)thiazol-2-yl]thiazol-5-yl]benzoic acid](/api/spectrum/8ValzzvZHxc/structure.png?h=300&w=458 "4-[4-butyl-2-[4-butyl-5-(4-carboxyphenyl)thiazol-2-yl]thiazol-5-yl]benzoic acid")
