| SpectraBase Spectrum ID |
DNXyhZhEuki |
| Name |
1-[2-(3-Ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yloxy) acetyl]-3-methyl-1,2-dihydropyrazol-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.121571683 u |
| Formula |
C18H18N2O5 |
| InChI |
InChI=1S/C18H18N2O5/c1-4-13-11(3)14-6-5-12(8-15(14)25-18(13)23)24-9-17(22)20-16(21)7-10(2)19-20/h5-8,19H,4,9H2,1-3H3 |
| InChIKey |
SIWJNHVDYWLRJT-UHFFFAOYSA-N |
| Molecular Weight |
342.351 g/mol |
| SMILES |
C=1(NN(C(C1)=O)C(=O)COC=1C=C2C(C(=C(C(O2)=O)CC)C)=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944077 |
![1-[2-(3-Ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yloxy) acetyl]-3-methyl-1,2-dihydropyrazol-5-one](/api/spectrum/DNXyhZhEuki/structure.png?h=300&w=458 "1-[2-(3-Ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yloxy) acetyl]-3-methyl-1,2-dihydropyrazol-5-one")
