| SpectraBase Spectrum ID |
I8U1Rff4Cio |
| Name |
benzoic acid, 3,4,5-trimethoxy-, 3-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]propyl 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 |
434.114772223 u |
| Formula |
C20H22N2O7S |
| InChI |
InChI=1S/C20H22N2O7S/c1-26-15-11-13(12-16(27-2)18(15)28-3)20(23)29-10-6-9-21-19-14-7-4-5-8-17(14)30(24,25)22-19/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,21,22) |
| InChIKey |
VTQXERVMWASECI-UHFFFAOYSA-N |
| Molecular Weight |
434.463 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_2648 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8161183; Lab Info: LP; Lab Number: LP-1900595 |
| Temperature |
29.85 °C |
![benzoic acid, 3,4,5-trimethoxy-, 3-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]propyl ester](/api/spectrum/I8U1Rff4Cio/structure.png?h=300&w=458 "benzoic acid, 3,4,5-trimethoxy-, 3-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]propyl ester")
