| SpectraBase Spectrum ID |
4jzVeGSyaDz |
| Name |
9H-4(S)-Carboxy-8,8-dimethyl-5-(S)-(p-methylphenyl)4,5,6,6a(S),7,8-hexahydro-1,2-diazaphenalen-3-one |
| Alternate Name(s) |
(4S,5S,6aS)-8,8-dimethyl-5-(4-methylphenyl)-3-oxo-2,4,5,6,6a,7,8,9-octahydro-3H-benzo[de]cinnoline-4-carboxylic acid
9H-4-Carboxy-8,8-dimethyl-5-(p-methylphenyl)4,5,6,6a,7,8-hexahydro-1,2-diazaphenalen-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24N2O3 |
| InChI |
InChI=1S/C21H24N2O3/c1-11-4-6-12(7-5-11)14-8-13-9-21(2,3)10-15-16(13)18(17(14)20(25)26)19(24)23-22-15/h4-7,13-14,17H,8-10H2,1-3H3,(H,23,24)(H,25,26)/t13-,14+,17-/m0/s1 |
| InChIKey |
WHYCDVXSSLZPKW-VBQJREDUSA-N |
| Molecular Weight |
352.434 g/mol |
| SMILES |
OC([C@@]1(C2=C3C(=NNC2=O)CC(C[C@@]3(C[C@@]1(c1ccc(cc1)C)[H])[H])(C)C)[H])=O |
| SPLASH |
splash10-0006-9003000000-a869e9458b348e0988bc |
| Source of Spectrum |
H1-51-1524-5 |
| Wiley ID |
817346 |
