| SpectraBase Spectrum ID |
H5TFqvIQeX7 |
| Name |
4-[(4E)-3,5-Dioxo-4-(phenylmethylene)-1-pyrazolidinyl]benzoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.111006999 u |
| Formula |
C19H16N2O4 |
| InChI |
InChI=1S/C19H16N2O4/c1-2-25-19(24)14-8-10-15(11-9-14)21-18(23)16(17(22)20-21)12-13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,20,22)/b16-12+ |
| InChIKey |
RDJBPXAGXNUUIJ-FOWTUZBSSA-N |
| Molecular Weight |
336.347 g/mol |
| SMILES |
C1(\C(C(NN1C=1C=CC(C(=O)OCC)=CC1)=O)=C\C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930528 |
![4-[(4E)-3,5-dioxo-4-(phenylmethylene)-1-pyrazolidinyl]benzoic acid ethyl ester](/api/spectrum/H5TFqvIQeX7/structure.png?h=300&w=458 "4-[(4E)-3,5-dioxo-4-(phenylmethylene)-1-pyrazolidinyl]benzoic acid ethyl ester")
