| SpectraBase Spectrum ID |
EHSm3k5thKp |
| Name |
6-(Benzo[d][1,3]dioxol-5-yl)-1-formyl-4-(2-oxoethylidene)-2-thioxohexahydropyrimidine-5-carboxylic acid |
| Appearance |
Brown crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H12N2O6S |
| InChI |
InChI=1S/C15H12N2O6S/c18-4-3-9-12(14(20)21)13(17(6-19)15(24)16-9)8-1-2-10-11(5-8)23-7-22-10/h1-6,12-13H,7H2,(H,16,24)(H,20,21) |
| InChIKey |
XMJIIZQYVCPYDX-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP-1000EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2358 |
| Molecular Weight |
348.329 g/mol |
| SMILES |
N1C(N(C(C(C(=O)O)C1=CC=O)c1ccc2c(OCO2)c1)C=O)=S |
| SPLASH |
splash10-001j-8294000000-5cbc99bd7eb6c0e8a907 |
| Source of Spectrum |
Y-53-554-17a |
| Wiley ID |
1877641 |
![6-(Benzo[d][1,3]dioxol-5-yl)-1-formyl-4-(2-oxoethylidene)-2-thioxohexahydropyrimidine-5-carboxylic acid](/api/spectrum/EHSm3k5thKp/structure.png?h=300&w=458 "6-(Benzo[d][1,3]dioxol-5-yl)-1-formyl-4-(2-oxoethylidene)-2-thioxohexahydropyrimidine-5-carboxylic acid")
