| SpectraBase Spectrum ID |
AUD4um54ncV |
| Name |
5-(diethylcarbamoyl)-1,3-benzodioxole-4-carboxylic acid |
| Alternate Name(s) |
5-[(diethylamino)carbonyl]-1,3-benzodioxole-4-carboxylic acid
5-[diethylamino(oxo)methyl]-1,3-benzodioxole-4-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15NO5 |
| InChI |
InChI=1S/C13H15NO5/c1-3-14(4-2)12(15)8-5-6-9-11(19-7-18-9)10(8)13(16)17/h5-6H,3-4,7H2,1-2H3,(H,16,17) |
| InChIKey |
JPCNVRCKBNQXPL-UHFFFAOYSA-N |
| Molecular Weight |
265.265 g/mol |
| SMILES |
OC(c1c(C(N(CC)CC)=O)ccc2c1OCO2)=O |
| SPLASH |
splash10-014i-0910000000-c255fa50447866526281 |
| Source of Spectrum |
F-48-4875-21 |
| Wiley ID |
1268854 |
