| SpectraBase Spectrum ID |
6nKMd3VsEQi |
| Name |
1,2-Benzenedicarboxylic acid, 1-[2,2-dimethyl-1-(1-pyrrolidinylmethyl)propyl]ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.178358285 u |
| Formula |
C18H25NO4 |
| InChI |
InChI=1S/C18H25NO4/c1-18(2,3)15(12-19-10-6-7-11-19)23-17(22)14-9-5-4-8-13(14)16(20)21/h4-5,8-9,15H,6-7,10-12H2,1-3H3,(H,20,21) |
| InChIKey |
FDPLVUKGPYJRFQ-UHFFFAOYSA-N |
| Molecular Weight |
319.401 g/mol |
| SMILES |
C1N(CCC1)CC(C(C)(C)C)OC(=O)C=1C=CC=CC1C(O)=O |
![1,2-Benzenedicarboxylic acid, 1-[2,2-dimethyl-1-(1-pyrrolidinylmethyl)propyl]ester](/api/spectrum/6nKMd3VsEQi/structure.png?h=300&w=458 "1,2-Benzenedicarboxylic acid, 1-[2,2-dimethyl-1-(1-pyrrolidinylmethyl)propyl]ester")
