| SpectraBase Spectrum ID |
JWJ3qEtR4Cn |
| Name |
3-{5-[(1,3-benzodioxol-5-ylmethyl)amino]-1,3,4-thiadiazol-2-yl}-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-one |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.084140800 u |
| Formula |
C20H16N4O5S |
| InChI |
InChI=1S/C20H16N4O5S/c1-10-17-13(12(8-25)7-21-10)5-14(19(26)29-17)18-23-24-20(30-18)22-6-11-2-3-15-16(4-11)28-9-27-15/h2-5,7,25H,6,8-9H2,1H3,(H,22,24) |
| InChIKey |
GSSPUCIEKBPNDV-UHFFFAOYSA-N |
| Molecular Weight |
424.431 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_7283 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13218022 |
![3-{5-[(1,3-benzodioxol-5-ylmethyl)amino]-1,3,4-thiadiazol-2-yl}-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-one](/api/spectrum/JWJ3qEtR4Cn/structure.png?h=300&w=458 "3-{5-[(1,3-benzodioxol-5-ylmethyl)amino]-1,3,4-thiadiazol-2-yl}-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-one")
