| SpectraBase Spectrum ID |
JcAldYRbzcy |
| Name |
4-[4-(4-Methoxy-benzylidene)-3,5-dioxo-pyrazolidin-1-yl]-benzoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.105921618 u |
| Formula |
C19H16N2O5 |
| InChI |
InChI=1S/C19H16N2O5/c1-25-15-9-3-12(4-10-15)11-16-17(22)20-21(18(16)23)14-7-5-13(6-8-14)19(24)26-2/h3-11H,1-2H3,(H,20,22)/b16-11+ |
| InChIKey |
BZTANUMKGAIOKE-LFIBNONCSA-N |
| Molecular Weight |
352.346 g/mol |
| SMILES |
C1(\C(C(NN1C1=CC=C(C(OC)=O)C=C1)=O)=C\C1=CC=C(OC)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889188 |
![4-[4-(4-Methoxy-benzylidene)-3,5-dioxo-pyrazolidin-1-yl]-benzoic acid methyl ester](/api/spectrum/JcAldYRbzcy/structure.png?h=300&w=458 "4-[4-(4-Methoxy-benzylidene)-3,5-dioxo-pyrazolidin-1-yl]-benzoic acid methyl ester")
