| SpectraBase Spectrum ID |
4alehGplDKL |
| Name |
(3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-1-((S)-1-(3-fluoro-4-methoxyphenyl)butan-2-yl)-4-(4-fluorophenyl)piperidine |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
509.237764869 u |
| Formula |
C30H33F2NO4 |
| InChI |
InChI=1S/C30H33F2NO4/c1-3-24(14-20-4-10-28(34-2)27(32)15-20)33-13-12-26(21-5-7-23(31)8-6-21)22(17-33)18-35-25-9-11-29-30(16-25)37-19-36-29/h4-11,15-16,22,24,26H,3,12-14,17-19H2,1-2H3/t22-,24-,26-/m0/s1 |
| InChIKey |
SNQQGFYMZPGMAC-GVUKDKGQSA-N |
| Instrument Name |
Finnigan MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202304445 |
| Molecular Weight |
509.594 g/mol |
| Quality |
31 |
| Reported Formula |
C30H33F2NO4 |
| SMILES |
[C@@](N1CC[C@]([C@@](C1)(COC1=CC2=C(C=C1)OCO2)[H])(C1=CC=C(C=C1)F)[H])(CC)(CC1=CC(=C(C=C1)OC)F)[H] |
| SPLASH |
splash10-00di-1119000000-091e445e03d8690b0292 |
| Sample Comments |
86% ee, dr = 93:7 |
| Source of Spectrum |
ACI-62-SM53-1ak (DOI: 10.1002/anie.202304445) |
| Wiley ID |
1911120 |
![(3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-1-((S)-1-(3-fluoro-4-methoxyphenyl)butan-2-yl)-4-(4-fluorophenyl)piperidine](/api/spectrum/4alehGplDKL/structure.png?h=300&w=458 "(3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-1-((S)-1-(3-fluoro-4-methoxyphenyl)butan-2-yl)-4-(4-fluorophenyl)piperidine")
