| SpectraBase Spectrum ID |
HHaXXG3uMt9 |
| Name |
3-Pyrrolidinepropanoic acid, 4-methyl-2,5-dioxo-1-[(phenylmethoxy)methyl]-4-(2-propenyl)-, methyl ester, cis-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.173272904 u |
| Formula |
C20H25NO5 |
| InChI |
InChI=1S/C20H25NO5/c1-4-12-20(2)16(10-11-17(22)25-3)18(23)21(19(20)24)14-26-13-15-8-6-5-7-9-15/h4-9,16H,1,10-14H2,2-3H3/t16-,20-/m0/s1 |
| InChIKey |
BSTKPAJFUVGCFD-JXFKEZNVSA-N |
| Molecular Weight |
359.422 g/mol |
| SMILES |
C1(N(C([C@@]([C@@]1(CC=C)C)(CCC(=O)OC)[H])=O)COCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939721 |
![3-Pyrrolidinepropanoic acid, 4-methyl-2,5-dioxo-1-[(phenylmethoxy)methyl]-4-(2-propenyl)-, methyl ester, cis-(.+-.)-](/api/spectrum/HHaXXG3uMt9/structure.png?h=300&w=458 "3-Pyrrolidinepropanoic acid, 4-methyl-2,5-dioxo-1-[(phenylmethoxy)methyl]-4-(2-propenyl)-, methyl ester, cis-(.+-.)-")
