| SpectraBase Spectrum ID |
9OFUlT6LBPo |
| Name |
1-(3,4,5-Trimethoxyphenyl)-2-aminopropan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.115758027 u |
| Formula |
C12H17NO4 |
| InChI |
InChI=1S/C12H17NO4/c1-7(13)11(14)8-5-9(15-2)12(17-4)10(6-8)16-3/h5-7H,13H2,1-4H3 |
| InChIKey |
MTHAXZWAGMSROH-UHFFFAOYSA-N |
| Molecular Weight |
239.271 g/mol |
| SMILES |
C1(=C(C=C(C(C(N)C)=O)C=C1OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945933 |
