| SpectraBase Spectrum ID |
EJ4u7YLwyGA |
| Name |
ethyl 2-{[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)carbothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| 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/C24H25BrN4O3S2/c1-2-32-23(31)20-18-6-4-3-5-7-19(18)34-22(20)28-24(33)27-21(30)16-10-8-15(9-11-16)13-29-14-17(25)12-26-29/h8-12,14H,2-7,13H2,1H3,(H2,27,28,30,33) |
| InChIKey |
HXTFXPKODBVBHW-UHFFFAOYSA-N |
| NMR Offset |
15.3537 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_UBI_21270_6947 |
| 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: 9686048; UBI_ID: UBI-006949 |
| Temperature |
308 °C |
![ethyl 2-{[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)carbothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate](/api/spectrum/EJ4u7YLwyGA/structure.png?h=300&w=458 "ethyl 2-{[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)carbothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate")
