| SpectraBase Spectrum ID |
3GP3fwxuCcS |
| Name |
3,4-Dihydroxybenzylamine 3ac P686 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
265.095022582 u |
| Formula |
C13H15NO5 |
| InChI |
InChI=1S/C13H15NO5/c1-8(15)14-7-11-4-5-12(18-9(2)16)13(6-11)19-10(3)17/h4-6H,7H2,1-3H3,(H,14,15) |
| InChIKey |
KIYMCVJRHUWTHN-UHFFFAOYSA-N |
| Molecular Weight |
265.265 g/mol |
| SMILES |
C=1(C(OC(=O)C)=CC=C(C1)CNC(=O)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841568 |
