| SpectraBase Spectrum ID |
C4AaLBMPT7D |
| Name |
(2S,3R)-1,3-Dimethyl-2-(2,3,4-trimethoxyphenyl)-4-piperidinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
293.162708221 u |
| Formula |
C16H23NO4 |
| InChI |
InChI=1S/C16H23NO4/c1-10-12(18)8-9-17(2)14(10)11-6-7-13(19-3)16(21-5)15(11)20-4/h6-7,10,14H,8-9H2,1-5H3/t10-,14-/m0/s1 |
| InChIKey |
DHBKZLGBIINNFJ-HZMBPMFUSA-N |
| SMILES |
C=1([C@@]2([C@](C(=O)CCN2C)(C)[H])[H])C(=C(OC)C(=CC1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867415 |
