| SpectraBase Spectrum ID |
31elxyn0dFM |
| Name |
3-({[6-tert-butyl-3-(ethoxycarbonyl)-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/C24H33NO5S/c1-5-30-23(29)19-15-9-8-14(24(2,3)4)11-16(15)31-21(19)25-20(26)17-12-6-7-13(10-12)18(17)22(27)28/h12-14,17-18H,5-11H2,1-4H3,(H,25,26)(H,27,28)/t12-,13+,14?,17-,18-/m1/s1 |
| InChIKey |
ZSQKXDMCMBONPL-IJMVSKDOSA-N |
| NMR Offset |
15.328 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_UBI_21270_11407 |
| 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/9091498; UBI_ID: UBI-011410 |
| Temperature |
313 °C |
![3-({[6-tert-butyl-3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid](/api/spectrum/31elxyn0dFM/structure.png?h=300&w=458 "3-({[6-tert-butyl-3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid")
