| SpectraBase Spectrum ID |
2uEsKqDtEcv |
| Name |
3-(4-Methoxyphenyl)-4-dimethylamino-3-buten-2-one; 3-buten-2-one, 4-(dimethylamino)-3-(4-methoxyphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
219.125928789 u |
| Formula |
C13H17NO2 |
| InChI |
InChI=1S/C13H17NO2/c1-10(15)13(9-14(2)3)11-5-7-12(16-4)8-6-11/h5-9H,1-4H3/b13-9+ |
| InChIKey |
KEGMAEFVJNPESF-UKTHLTGXSA-N |
| Molecular Weight |
219.284 g/mol |
| SMILES |
CC(\C(=C/N(C)C)C1=CC=C(C=C1)OC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.980595 |
