| SpectraBase Spectrum ID |
26YJ2UvIabT |
| Name |
Carbonic acid, 4,5-dihydro-1-phenyl-1H-pyrazol-3-yl phenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.100442316 u |
| Formula |
C16H14N2O3 |
| InChI |
InChI=1S/C16H14N2O3/c19-16(20-14-9-5-2-6-10-14)21-15-11-12-18(17-15)13-7-3-1-4-8-13/h1-10H,11-12H2 |
| InChIKey |
JAVVXMRCWZLYMD-UHFFFAOYSA-N |
| SMILES |
C(=O)(OC1=NN(C2=CC=CC=C2)CC1)OC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871869 |
