| SpectraBase Spectrum ID |
AJrWsOj6k5 |
| Name |
carbamimidothioic acid, N-(1,3-benzodioxol-5-yl)-N'-[(E)-methyl]-, 1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl 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 |
508.990622177 u |
| Formula |
C19H16IN3O4S |
| InChI |
InChI=1S/C19H16IN3O4S/c1-21-19(22-12-4-7-14-15(8-12)27-10-26-14)28-16-9-17(24)23(18(16)25)13-5-2-11(20)3-6-13/h2-8,16H,9-10H2,1H3,(H,21,22) |
| InChIKey |
PTRCKDOGLIXWIH-UHFFFAOYSA-N |
| Molecular Weight |
509.318 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_963 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8092592; Lab Info: PE; Lab Number: PE-0002758 |
![carbamimidothioic acid, N-(1,3-benzodioxol-5-yl)-N'-[(E)-methyl]-, 1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl ester](/api/spectrum/AJrWsOj6k5/structure.png?h=300&w=458 "carbamimidothioic acid, N-(1,3-benzodioxol-5-yl)-N'-[(E)-methyl]-, 1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl ester")
