| SpectraBase Spectrum ID |
CuqEGdS0mvq |
| Name |
3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methoxyphenyl)-1-propanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.131408092 u |
| Formula |
C18H19NO4 |
| InChI |
InChI=1S/C18H19NO4/c1-21-15-5-2-13(3-6-15)16(20)8-9-19-14-4-7-17-18(12-14)23-11-10-22-17/h2-7,12,19H,8-11H2,1H3 |
| InChIKey |
HRNNZVHTFLJHCY-UHFFFAOYSA-N |
| Molecular Weight |
313.353 g/mol |
| SMILES |
C12=CC(NCCC(C=3C=CC(=CC3)OC)=O)=CC=C1OCCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961991 |
