| SpectraBase Spectrum ID |
KjrSM3j2KYI |
| Name |
benzoic acid, 4-[butyl[[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-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 |
505.214761049 u |
| Formula |
C27H31N5O3S |
| InChI |
InChI=1S/C27H31N5O3S/c1-4-7-17-31(20-14-12-19(13-15-20)26(34)35-6-3)23(33)18-36-27-28-25-24(29-30-27)21-10-8-9-11-22(21)32(25)16-5-2/h8-15H,4-7,16-18H2,1-3H3 |
| InChIKey |
SJTMVQLAKSNRIH-UHFFFAOYSA-N |
| Molecular Weight |
505.637 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_5626 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10290823; Lab Info: SAD; Lab Number: SAD-EXC0016 |
![benzoic acid, 4-[butyl[[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetyl]amino]-, ethyl ester](/api/spectrum/KjrSM3j2KYI/structure.png?h=300&w=458 "benzoic acid, 4-[butyl[[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetyl]amino]-, ethyl ester")
