| SpectraBase Spectrum ID |
8soJM4Mp3G3 |
| Name |
2,4-Pyrrolidinedicarboxylic acid, 2-[[(2-methoxy-2-oxoethyl)thio]methyl]-5-phenyl-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.124608633 u |
| Formula |
C18H23NO6S |
| InChI |
InChI=1S/C18H23NO6S/c1-23-14(20)10-26-11-18(17(22)25-3)9-13(16(21)24-2)15(19-18)12-7-5-4-6-8-12/h4-8,13,15,19H,9-11H2,1-3H3 |
| InChIKey |
SDRAXSZXHUGWRW-UHFFFAOYSA-N |
| Molecular Weight |
381.443 g/mol |
| SMILES |
COC(=O)C1(NC(C(C1)C(OC)=O)C1=CC=CC=C1)CSCC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972861 |
![2,4-Pyrrolidinedicarboxylic acid, 2-[[(2-methoxy-2-oxoethyl)thio]methyl]-5-phenyl-, dimethyl ester](/api/spectrum/8soJM4Mp3G3/structure.png?h=300&w=458 "2,4-Pyrrolidinedicarboxylic acid, 2-[[(2-methoxy-2-oxoethyl)thio]methyl]-5-phenyl-, dimethyl ester")
