| SpectraBase Spectrum ID |
2aaMMGU23MM |
| Name |
3-Methyl-1-(2-(8-methyl-4-propyl-2H-1-benzopyran-2-one-7-yloxy)acetyl)-1,2-dihydro-pyrazol-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.137221747 u |
| Formula |
C19H20N2O5 |
| InChI |
InChI=1S/C19H20N2O5/c1-4-5-13-9-18(24)26-19-12(3)15(7-6-14(13)19)25-10-17(23)21-16(22)8-11(2)20-21/h6-9,20H,4-5,10H2,1-3H3 |
| InChIKey |
QXPIYXQGXPKVQQ-UHFFFAOYSA-N |
| Molecular Weight |
356.378 g/mol |
| SMILES |
C1(N(NC(=C1)C)C(COC=1C(=C2OC(=O)C=C(C2=CC1)CCC)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954351 |
