| SpectraBase Spectrum ID |
JDQxvntX171 |
| Name |
(4R,5S,6aS)-9H-4-Carboxy-8,8-dimethyl-5-phenyl-4,5,6,6a,7,8-hexahydro-1,2-diazaphenalen-3-one |
| Alternate Name(s) |
(4R,5S,6aS)-8,8-dimethyl-3-oxo-5-phenyl-2,4,5,6,6a,7,8,9-octahydro-3H-benzo[de]cinnoline-4-carboxylic acid
9H-4-Carboxy-8,8-dimethyl-5-phenyl-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 |
C20H22N2O3 |
| InChI |
InChI=1S/C20H22N2O3/c1-20(2)9-12-8-13(11-6-4-3-5-7-11)16(19(24)25)17-15(12)14(10-20)21-22-18(17)23/h3-7,12-13,16H,8-10H2,1-2H3,(H,22,23)(H,24,25)/t12-,13+,16+/m0/s1 |
| InChIKey |
KQVUCLDACCBTRZ-WOSRLPQWSA-N |
| Molecular Weight |
338.407 g/mol |
| SMILES |
OC([C@]1(C2=C3C(=NNC2=O)CC(C[C@@]3(C[C@@]1(c1ccccc1)[H])[H])(C)C)[H])=O |
| SPLASH |
splash10-0006-9050000000-3908aea7c269b548970f |
| Source of Spectrum |
H1-51-1524-5 |
| Wiley ID |
817348 |
