| SpectraBase Spectrum ID |
2SdbwDfrUrb |
| Name |
Diethyl 2-(((3R,4R)-6-(methoxycarbonyl)-2-oxo-4-phenyl-3,4-dihydro-2H-pyran-3-yl)methyl)malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.147117725 u |
| Formula |
C21H24O8 |
| InChI |
InChI=1S/C21H24O8/c1-4-27-18(22)16(19(23)28-5-2)11-15-14(13-9-7-6-8-10-13)12-17(21(25)26-3)29-20(15)24/h6-10,12,14-16H,4-5,11H2,1-3H3/t14-,15+/m0/s1 |
| InChIKey |
ROHXBHSBWOKZAW-LSDHHAIUSA-N |
| Molecular Weight |
404.415 g/mol |
| SMILES |
C1=CC(=CC=C1)[C@@]1(C=C(OC([C@@]1(CC(C(OCC)=O)C(OCC)=O)[H])=O)C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968045 |
