| SpectraBase Spectrum ID |
LFp562wAjus |
| Name |
benzoic acid, 4-[[[[4-ethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, ethyl 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 |
477.183460920 u |
| Formula |
C25H27N5O3S |
| InChI |
InChI=1S/C25H27N5O3S/c1-4-30-22(14-20-16(3)26-21-9-7-6-8-19(20)21)28-29-25(30)34-15-23(31)27-18-12-10-17(11-13-18)24(32)33-5-2/h6-13,26H,4-5,14-15H2,1-3H3,(H,27,31) |
| InChIKey |
KRTFYZSXHFOXJX-UHFFFAOYSA-N |
| Molecular Weight |
477.583 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_3906 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13279272 |
![benzoic acid, 4-[[[[4-ethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, ethyl ester](/api/spectrum/LFp562wAjus/structure.png?h=300&w=458 "benzoic acid, 4-[[[[4-ethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, ethyl ester")
