| SpectraBase Spectrum ID |
D8EsweG3Vrm |
| Name |
Dimethyl ester of [6-(dimethylamino)-5-hexynyl]propanedioic acid |
| Alternate Name(s) |
dimethyl 2-[6-(dimethylamino)-5-hexynyl]malonate
Dimethyl ester of[7-(dimethylamino)-5-pentynyl]propanedioic acid |
| CAS Registry Number |
94517-84-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H21NO4 |
| InChI |
InChI=1S/C13H21NO4/c1-14(2)10-8-6-5-7-9-11(12(15)17-3)13(16)18-4/h11H,5-7,9H2,1-4H3 |
| InChIKey |
SQBRUFAGKDEDHC-UHFFFAOYSA-N |
| Molecular Weight |
255.314 g/mol |
| SMILES |
C(C(=O)OC)(C(=O)OC)CCCCC#CN(C)C |
| SPLASH |
splash10-0udi-0920000000-2678af5fe27c5aeb5eec |
| Source of Spectrum |
C-107-2128-0 |
| Wiley ID |
1258742 |
![Dimethyl ester of [6-(dimethylamino)-5-hexynyl]propanedioic acid](/api/spectrum/D8EsweG3Vrm/structure.png?h=300&w=458 "Dimethyl ester of [6-(dimethylamino)-5-hexynyl]propanedioic acid")
