| SpectraBase Spectrum ID |
4DMWJaEZyIC |
| Name |
benzoic acid, 3-[[[5-(2-furanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]methyl]-, methyl ester |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.099062590 u |
| Formula |
C21H17N3O3S |
| InChI |
InChI=1S/C21H17N3O3S/c1-26-20(25)16-8-5-7-15(13-16)14-28-21-23-22-19(18-11-6-12-27-18)24(21)17-9-3-2-4-10-17/h2-13H,14H2,1H3 |
| InChIKey |
WPBWTLIGRHVFAF-UHFFFAOYSA-N |
| Molecular Weight |
391.445 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_15066 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10300118; Lab Info: LP; Lab Number: LP-205984 |
![benzoic acid, 3-[[[5-(2-furanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]methyl]-, methyl ester](/api/spectrum/4DMWJaEZyIC/structure.png?h=300&w=458 "benzoic acid, 3-[[[5-(2-furanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]methyl]-, methyl ester")
