| SpectraBase Spectrum ID |
6xa7X8UK62t |
| Name |
2,7,7-Trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propan-2-yl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.199093730 u |
| Formula |
C22H27NO3 |
| InChI |
InChI=1S/C22H27NO3/c1-13(2)26-21(25)18-14(3)23-16-11-22(4,5)12-17(24)20(16)19(18)15-9-7-6-8-10-15/h6-10,13,19,23H,11-12H2,1-5H3 |
| InChIKey |
CJMMZSRUBYIPBE-UHFFFAOYSA-N |
| Molecular Weight |
353.462 g/mol |
| SMILES |
C1(C2=C(NC(=C1C(OC(C)C)=O)C)CC(C)(C)CC2=O)C1=CC=CC=C1 |
