| SpectraBase Spectrum ID |
Kqre71bNHUp |
| Name |
(5S)-1-(4-Methoxybenzyl)-5-(methoxymethyl)-2-pyrrolidinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.136493473 u |
| Formula |
C14H19NO3 |
| InChI |
InChI=1S/C14H19NO3/c1-17-10-12-5-8-14(16)15(12)9-11-3-6-13(18-2)7-4-11/h3-4,6-7,12H,5,8-10H2,1-2H3/t12-/m0/s1 |
| InChIKey |
UYWVAIMAPHILGC-LBPRGKRZSA-N |
| Molecular Weight |
249.310 g/mol |
| SMILES |
C1(N([C@@](CC1)(COC)[H])CC=1C=CC(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883723 |
