| SpectraBase Spectrum ID |
GJaA4Ah82Fa |
| Name |
(4R,10R)-3-methyl-4,10-diphenyl-1-butyl-7,8-dihydro-4H,6H,10H-furo[3,4-d]pyrazolo[1,2-a]pyridazin-6-one |
| Appearance |
Gray solid |
| Carrier Gas |
Hydrogen (1.7 ml/min, 1.2 bar) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.215078148 u |
| Formula |
C26H28N2O2 |
| GC Column |
Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C26H28N2O2/c1-3-4-15-21-24-23(18(2)30-21)26(20-13-9-6-10-14-20)28-22(29)16-17-27(28)25(24)19-11-7-5-8-12-19/h5-14,25-26H,3-4,15-17H2,1-2H3/t25-,26-/m1/s1 |
| InChIKey |
YWFSDHZJDOENGP-CLJLJLNGSA-N |
| Instrument Name |
Agilent 5973 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201800042 |
| Molecular Weight |
400.522 g/mol |
| Optical Rotation |
[a]D20 = +20.30 (436 nm), -11.41 (546 nm), -8.93 (589 nm) (c = 0.42, CHCl3) |
| Quality |
293 |
| SMILES |
C=1(OC(=C2[C@](N3CCC(N3[C@@](C12)(C=1C=CC=CC1)[H])=O)(C1=CC=CC=C1)[H])CCCC)C |
| SPLASH |
splash10-0udi-2262900000-8669a387d4eeed3919b7 |
| Sample Comments |
18% ee |
| Source of Spectrum |
QE-24-SM72-5u (DOI: 10.1002/chem.201800042) |
| Thin-Layer Chromatography |
0.17 (Cyclohexane/EtOAc, 3:1) |
| Wiley ID |
1900085 |
![(4R,10R)-3-methyl-4,10-diphenyl-1-butyl-7,8-dihydro-4H,6H,10H-furo[3,4-d]pyrazolo[1,2-a]pyridazin-6-one](/api/spectrum/GJaA4Ah82Fa/structure.png?h=300&w=458 "(4R,10R)-3-methyl-4,10-diphenyl-1-butyl-7,8-dihydro-4H,6H,10H-furo[3,4-d]pyrazolo[1,2-a]pyridazin-6-one")
