| SpectraBase Spectrum ID |
FfwcnkGVdFa |
| Name |
2-Pyrrolidinepropanoic acid, 5-[2-(1,1-dimethylethoxy)-2-oxoethyl]-, methyl ester, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.178358285 u |
| Formula |
C14H25NO4 |
| InChI |
InChI=1S/C14H25NO4/c1-14(2,3)19-13(17)9-11-6-5-10(15-11)7-8-12(16)18-4/h10-11,15H,5-9H2,1-4H3/t10-,11+/m0/s1 |
| InChIKey |
SKGJMLADXCBPCQ-WDEREUQCSA-N |
| Molecular Weight |
271.357 g/mol |
| SMILES |
C(C[C@@]1(N[C@](CCC(=O)OC)(CC1)[H])[H])(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979397 |
![2-Pyrrolidinepropanoic acid, 5-[2-(1,1-dimethylethoxy)-2-oxoethyl]-, methyl ester, cis-](/api/spectrum/FfwcnkGVdFa/structure.png?h=300&w=458 "2-Pyrrolidinepropanoic acid, 5-[2-(1,1-dimethylethoxy)-2-oxoethyl]-, methyl ester, cis-")
