| SpectraBase Spectrum ID |
5pCvpCQedtr |
| Name |
Tetrahydropyran-4-carboxylic acid, 4-phenyl-, (3-chloro-4-methylphenyl)amide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.118256586 u |
| Formula |
C19H20ClNO2 |
| InChI |
InChI=1S/C19H20ClNO2/c1-14-7-8-16(13-17(14)20)21-18(22)19(9-11-23-12-10-19)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,21,22) |
| InChIKey |
DKWNEONFAFAUMT-UHFFFAOYSA-N |
| Molecular Weight |
329.827 g/mol |
| SMILES |
C(C1(C=2C=CC=CC2)CCOCC1)(NC=1C=C(Cl)C(=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813843 |
