| SpectraBase Spectrum ID |
54aDJgAJlWf |
| Name |
Propanedioic acid, [3-(1-methyl-1H-pyrrol-2-yl)propyl]-, dimethyl ester |
| Alternate Name(s) |
dimethyl 2-[3-(1-methyl-1H-pyrrol-2-yl)propyl]malonate
Methyl 2-methoxycarbonyl-5-(1-methyl-2-pyrrolyl)pentanoate |
| CAS Registry Number |
69917-89-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H19NO4 |
| InChI |
InChI=1S/C13H19NO4/c1-14-9-5-7-10(14)6-4-8-11(12(15)17-2)13(16)18-3/h5,7,9,11H,4,6,8H2,1-3H3 |
| InChIKey |
PSQQRLXITFSWRN-UHFFFAOYSA-N |
| Molecular Weight |
253.298 g/mol |
| SMILES |
C(C(=O)OC)(C(=O)OC)CCCc1[n](ccc1)C |
| SPLASH |
splash10-0006-9000000000-4002e22e33a629fe217d |
| Source of Spectrum |
C-101-1262-0 |
| Wiley ID |
1256715 |
![Propanedioic acid, [3-(1-methyl-1H-pyrrol-2-yl)propyl]-, dimethyl ester](/api/spectrum/54aDJgAJlWf/structure.png?h=300&w=458 "Propanedioic acid, [3-(1-methyl-1H-pyrrol-2-yl)propyl]-, dimethyl ester")
