| SpectraBase Spectrum ID |
1ncdBm5gsBr |
| Name |
1,3-Dimethyl-1,2,5,6-tetrahydro-4-pyridyl 3',4',5'-trimethoxyphenyl ketone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.162708221 u |
| Formula |
C17H23NO4 |
| InChI |
InChI=1S/C17H23NO4/c1-11-10-18(2)7-6-13(11)16(19)12-8-14(20-3)17(22-5)15(9-12)21-4/h8-9H,6-7,10H2,1-5H3 |
| InChIKey |
UHFVZLFXVCUIIB-UHFFFAOYSA-N |
| SMILES |
C1(C(C=2C=C(OC)C(=C(C2)OC)OC)=O)=C(CN(CC1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860271 |
