| SpectraBase Spectrum ID |
HnsNCELIb49 |
| Name |
3-{[2-(methylsulfanyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Author |
A.V.Yarkov, IPAC, Russia |
| Copyright |
Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI |
InChI=1S/C15H15NO4S/c1-21-11-5-3-2-4-8(11)16-14(17)12-9-6-7-10(20-9)13(12)15(18)19/h2-7,9-10,12-13H,1H3,(H,16,17)(H,18,19)/t9-,10+,12+,13+/m0/s1 |
| InChIKey |
SJHBBAFQUSGOOG-XKAARJIMSA-N |
| NMR Offset |
15.328 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_UBI_21270_21100 |
| 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/9342768; UBI_ID: UBI-021104 |
| Temperature |
318 °C |
![3-{[2-(methylsulfanyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid](/api/spectrum/HnsNCELIb49/structure.png?h=300&w=458 "3-{[2-(methylsulfanyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid")
