| SpectraBase Spectrum ID |
KJnpB8Oo7ln |
| Name |
4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6,7,8-tetrahydro-, ethyl ester |
| 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/C34H39N5O7S2/c1-5-45-23-15-13-22(14-16-23)39-28(19-35-31(41)21-12-17-25(43-3)26(18-21)44-4)37-38-34(39)47-20-29(40)36-32-30(33(42)46-6-2)24-10-8-7-9-11-27(24)48-32/h12-18H,5-11,19-20H2,1-4H3,(H,35,41)(H,36,40) |
| InChIKey |
HZOAQEPPCZHRMI-UHFFFAOYSA-N |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Origin |
1H_CB_8313_6677 |
| 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: NMR/10278688 |
![4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6,7,8-tetrahydro-, ethyl ester](/api/spectrum/KJnpB8Oo7ln/structure.png?h=300&w=458 "4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6,7,8-tetrahydro-, ethyl ester")
