| SpectraBase Spectrum ID |
1o4fu3HqCXT |
| Name |
3-({[6-methyl-3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid |
| 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/C22H29NO5S/c1-3-8-28-22(27)18-14-7-4-11(2)9-15(14)29-20(18)23-19(24)16-12-5-6-13(10-12)17(16)21(25)26/h11-13,16-17H,3-10H2,1-2H3,(H,23,24)(H,25,26)/t11?,12-,13+,16-,17-/m1/s1 |
| InChIKey |
ISTWGOJEZSJBAO-BZSADYMVSA-N |
| NMR Offset |
15.328 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_UBI_21270_17960 |
| 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/9092406; UBI_ID: UBI-017963 |
| Temperature |
318 °C |
![3-({[6-methyl-3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid](/api/spectrum/1o4fu3HqCXT/structure.png?h=300&w=458 "3-({[6-methyl-3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid")
