| SpectraBase Spectrum ID |
JkbVWR7y9hj |
| Name |
1-((3-Acetyl-4-hydroxyphenyl)amino)butanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.105193344 u |
| Formula |
C12H15NO3 |
| InChI |
InChI=1S/C12H15NO3/c1-3-10(15)7-13-9-4-5-12(16)11(6-9)8(2)14/h4-6,13,16H,3,7H2,1-2H3 |
| InChIKey |
VHIRPGODYNECLK-UHFFFAOYSA-N |
| Molecular Weight |
221.256 g/mol |
| SMILES |
C=1(C(=O)C)C(=CC=C(NCC(=O)CC)C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887259 |
