| SpectraBase Spectrum ID |
2Y0LgRFgPZ |
| Name |
benzoic acid, 4-bromo-3-(4-morpholinylsulfonyl)-, (2,3-dihydro-1,4-benzodioxin-2-yl)methyl ester |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
497.014386155 u |
| Formula |
C20H20BrNO7S |
| InChI |
InChI=1S/C20H20BrNO7S/c21-16-6-5-14(11-19(16)30(24,25)22-7-9-26-10-8-22)20(23)28-13-15-12-27-17-3-1-2-4-18(17)29-15/h1-6,11,15H,7-10,12-13H2 |
| InChIKey |
BWXIMNLJDPMCGX-UHFFFAOYSA-N |
| Molecular Weight |
498.344 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6712 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10220293; Lab Info: SP; Lab Number: SP-X000310 |
| Temperature |
29.85 °C |
