| SpectraBase Spectrum ID |
iB3JSObiXE |
| Name |
4-(3,4-Difluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.180249992 u |
| Formula |
C22H25F2NO3 |
| InChI |
InChI=1S/C22H25F2NO3/c1-5-8-28-21(27)18-12(2)25-16-10-22(3,4)11-17(26)20(16)19(18)13-6-7-14(23)15(24)9-13/h6-7,9,19,25H,5,8,10-11H2,1-4H3 |
| InChIKey |
HJEMXWGGIUQZOP-UHFFFAOYSA-N |
| Molecular Weight |
389.443 g/mol |
| SMILES |
C=1(C(C=2C(CC(CC2NC1C)(C)C)=O)C1=CC(F)=C(C=C1)F)C(=O)OCCC |
