| SpectraBase Spectrum ID |
6jlZl3I2znr |
| Name |
Benzyl N-(4-oxocoumarinyl)methylenecarbamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.079372518 u |
| Formula |
C18H13NO5 |
| InChI |
InChI=1S/C18H13NO5/c20-16-13-8-4-5-9-15(13)24-17(21)14(16)10-19-18(22)23-11-12-6-2-1-3-7-12/h1-10,14H,11H2/b19-10+ |
| InChIKey |
NQNYNBRVKVFEII-VXLYETTFSA-N |
| Molecular Weight |
323.304 g/mol |
| SMILES |
C(\N=C\C1C(OC2=C(C1=O)C=CC=C2)=O)(=O)OCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909508 |
