| SpectraBase Spectrum ID |
AcITzFOjWr1 |
| Name |
7-Methoxy-4-[(N-acetylamino)methyl]-coumarin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.084457899 u |
| Formula |
C13H13NO4 |
| InChI |
InChI=1S/C13H13NO4/c1-8(15)14-7-9-5-13(16)18-12-6-10(17-2)3-4-11(9)12/h3-6H,7H2,1-2H3,(H,14,15) |
| InChIKey |
FFVFQDXVCVQMFT-UHFFFAOYSA-N |
| Molecular Weight |
247.250 g/mol |
| SMILES |
C=12OC(=O)C=C(C2=CC=C(C1)OC)CNC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95477 |
![7-Methoxy-4-[(N-acetylamino)methyl]-coumarin](/api/spectrum/AcITzFOjWr1/structure.png?h=300&w=458 "7-Methoxy-4-[(N-acetylamino)methyl]-coumarin")
