| SpectraBase Spectrum ID |
9Vyg27nNFUX |
| Name |
methyl 5-(aminocarbonyl)-4-methyl-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)-3-thiophenecarboxylate |
| Author |
A.V.Yarkov, IPAC, Russia |
| Copyright |
Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI |
InChI=1S/C21H25N5O4S/c1-11-14(18(28)30-2)17(31-15(11)16(22)27)25-19(29)20-4-12-3-13(5-20)7-21(6-12,8-20)26-10-23-9-24-26/h9-10,12-13H,3-8H2,1-2H3,(H2,22,27)(H,25,29)/t12-,13+,20+,21- |
| InChIKey |
XRUSCFSMXREZDK-NOKWSWOQSA-N |
| NMR Offset |
15.449 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_UBI_21270_10664 |
| Owner |
Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc. |
| Sample State |
soluted |
| Solvent |
DMSO-d6 |
| Source File Reference |
VendorID: UZI/9075571; UBI_ID: UBI-010667 |
| Temperature |
308 °C |
![methyl 5-(aminocarbonyl)-4-methyl-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)-3-thiophenecarboxylate](/api/spectrum/9Vyg27nNFUX/structure.png?h=300&w=458 "methyl 5-(aminocarbonyl)-4-methyl-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)-3-thiophenecarboxylate")
