| SpectraBase Spectrum ID |
I4h94rGUayO |
| Name |
benzoic acid, 4-[(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-2-imino-4-oxothiazolidinyl]-, ethyl 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 |
473.988505760 u |
| Formula |
C20H15BrN2O5S |
| InChI |
InChI=1S/C20H15BrN2O5S/c1-2-26-19(25)11-3-5-13(6-4-11)23-18(24)17(29-20(23)22)8-12-7-15-16(9-14(12)21)28-10-27-15/h3-9,22H,2,10H2,1H3/b17-8-,22-20? |
| InChIKey |
JDHQIZULYLBAOG-SQJGXBMISA-N |
| Molecular Weight |
475.313 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_14781 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10320215; Lab Info: SAD; Lab Number: 13 |
![benzoic acid, 4-[(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-2-imino-4-oxothiazolidinyl]-, ethyl ester](/api/spectrum/I4h94rGUayO/structure.png?h=300&w=458 "benzoic acid, 4-[(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-2-imino-4-oxothiazolidinyl]-, ethyl ester")
