| SpectraBase Spectrum ID |
JEmBul3p1CU |
| Name |
(4R,10R)-1-butyl-3-methyl-4,10-diphenyl-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 |
386.199428083 u |
| Formula |
C25H26N2O2 |
| GC Column |
Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C25H26N2O2/c1-3-10-20-23-22(17(2)29-20)25(19-13-8-5-9-14-19)27-21(28)15-16-26(27)24(23)18-11-6-4-7-12-18/h4-9,11-14,24-25H,3,10,15-16H2,1-2H3/t24-,25-/m1/s1 |
| InChIKey |
GCJMXLXKHUHLCQ-JWQCQUIFSA-N |
| Instrument Name |
Agilent 5973 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201800042 |
| Molecular Weight |
386.495 g/mol |
| Optical Rotation |
[a]D20 = +22.30 (436 nm), -9.21 (546 nm), -7.62 (589 nm) (c = 0.42, CHCl3) |
| Quality |
250 |
| SMILES |
C=1(OC(=C2[C@](N3CCC(N3[C@@](C12)(C=1C=CC=CC1)[H])=O)(C1=CC=CC=C1)[H])CCC)C |
| SPLASH |
splash10-002f-9231000000-fefe57129cb97f6abd67 |
| Sample Comments |
11% ee |
| Source of Spectrum |
QE-24-SM71-5t (DOI: 10.1002/chem.201800042) |
| Thin-Layer Chromatography |
0.22 (Cyclohexane/EtOAc, 3:1) |
| Wiley ID |
1900084 |
![(4R,10R)-1-butyl-3-methyl-4,10-diphenyl-7,8-dihydro-4H,6H,10H-furo[3,4-d]pyrazolo[1,2-a]pyridazin-6-one](/api/spectrum/JEmBul3p1CU/structure.png?h=300&w=458 "(4R,10R)-1-butyl-3-methyl-4,10-diphenyl-7,8-dihydro-4H,6H,10H-furo[3,4-d]pyrazolo[1,2-a]pyridazin-6-one")
