| SpectraBase Spectrum ID |
GjYuw2TpRZq |
| Name |
Benzeneethanamine, N-[3,5-dihydroxyphenylacetyl]-3-methoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.131408092 u |
| Formula |
C17H19NO4 |
| InChI |
InChI=1S/C17H19NO4/c1-22-16-4-2-3-12(9-16)5-6-18-17(21)10-13-7-14(19)11-15(20)8-13/h2-4,7-9,11,19-20H,5-6,10H2,1H3,(H,18,21) |
| InChIKey |
NPOFRXIHVWIZAQ-UHFFFAOYSA-N |
| Molecular Weight |
301.342 g/mol |
| SMILES |
C(NCCC1=CC=CC(=C1)OC)(=O)CC1=CC(=CC(=C1)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893931 |
![Benzeneethanamine, N-[3,5-dihydroxyphenylacetyl]-3-methoxy-](/api/spectrum/GjYuw2TpRZq/structure.png?h=300&w=458 "Benzeneethanamine, N-[3,5-dihydroxyphenylacetyl]-3-methoxy-")
