| SpectraBase Spectrum ID |
BV8KPQE8cSO |
| Name |
1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]methyl]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.173624511 u |
| Formula |
C20H26N6O4S |
| InChI |
InChI=1S/C20H26N6O4S/c1-19(2,3)11-7-10(8-12(15(11)27)20(4,5)6)31-9-13-14(18(28)29)22-25-26(13)17-16(21)23-30-24-17/h7-8,27H,9H2,1-6H3,(H2,21,23)(H,28,29) |
| InChIKey |
QJTFIFNCUCYNRB-UHFFFAOYSA-N |
| Molecular Weight |
446.526 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_14298 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10310486; Lab Info: VUR; Lab Number: VUR-0002313 |
![1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]methyl]-](/api/spectrum/BV8KPQE8cSO/structure.png?h=300&w=458 "1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]methyl]-")
