| SpectraBase Spectrum ID |
912hissJMBG |
| Name |
benzoic acid, 4-[[[[(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)methyl]thio]acetyl]amino]-, butyl 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 |
364.120526310 u |
| Formula |
C16H20N4O4S |
| InChI |
InChI=1S/C16H20N4O4S/c1-2-3-8-24-15(22)11-4-6-12(7-5-11)17-14(21)10-25-9-13-18-16(23)20-19-13/h4-7H,2-3,8-10H2,1H3,(H,17,21)(H2,18,19,20,23) |
| InChIKey |
GPMHTJLVSYCBCU-UHFFFAOYSA-N |
| Molecular Weight |
364.420 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_10219 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10241517; Lab Info: LP; Lab Number: LP-2100600 |
| Temperature |
23.85 °C |
![benzoic acid, 4-[[[[(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)methyl]thio]acetyl]amino]-, butyl ester](/api/spectrum/912hissJMBG/structure.png?h=300&w=458 "benzoic acid, 4-[[[[(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)methyl]thio]acetyl]amino]-, butyl ester")
