| SpectraBase Spectrum ID |
KOMALfdR9B6 |
| Name |
4-Acetyl-3-hydroxy-5-(2-methoxyphenyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.141972775 u |
| Formula |
C17H21NO5 |
| InChI |
InChI=1S/C17H21NO5/c1-11(19)14-15(12-7-4-5-8-13(12)23-3)18(9-6-10-22-2)17(21)16(14)20/h4-5,7-8,15,20H,6,9-10H2,1-3H3 |
| InChIKey |
LIDPSTPBBVBHPC-UHFFFAOYSA-N |
| Molecular Weight |
319.357 g/mol |
| SMILES |
C1(C(=C(O)C(N1CCCOC)=O)C(C)=O)C=1C(OC)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905372 |
