| SpectraBase Spectrum ID |
Amnlk9PLERH |
| Name |
4-(Benzo[d][1,3]dioxol-5-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid |
| Appearance |
White crystals |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12N2O4S |
| InChI |
InChI=1S/C13H12N2O4S/c1-6-10(12(16)17)11(15-13(20)14-6)7-2-3-8-9(4-7)19-5-18-8/h2-4,11H,5H2,1H3,(H,16,17)(H2,14,15,20) |
| InChIKey |
CCQXJBOSJAHHKV-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP-1000EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2358 |
| Molecular Weight |
292.309 g/mol |
| SMILES |
N1C(NC(=C(C(=O)O)C1c1ccc2c(c1)OCO2)C)=S |
| SPLASH |
splash10-0a4i-9320000000-a1b0827fe9ecac9ded22 |
| Source of Spectrum |
Y-53-555-22 |
| Wiley ID |
1877643 |
![4-(Benzo[d][1,3]dioxol-5-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid](/api/spectrum/Amnlk9PLERH/structure.png?h=300&w=458 "4-(Benzo[d][1,3]dioxol-5-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid")
