| SpectraBase Spectrum ID |
9pumx7R7Q4s |
| Name |
(-)-2-(6-Methoxypyridin-3-yl)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H21NO2 |
| InChI |
InChI=1S/C16H21NO2/c1-10-8-16(18,13-7-12(10)15(13,2)3)11-5-6-14(19-4)17-9-11/h5-6,8-9,12-13,18H,7H2,1-4H3/t12-,13-,16+/m1/s1 |
| InChIKey |
VCMPGVLLNWOFAB-IOASZLSFSA-N |
| Instrument Name |
Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700 |
| Ionization Type |
EI pos |
| Literature Reference DOI |
10.1002/anie.201810327 |
| Molecular Weight |
259.349 g/mol |
| Optical Rotation |
[a]D22= -66.01 (b = 1.01, CH2Cl2) |
| Reported Formula |
C16H21NO2 |
| SMILES |
O[C@]1([C@@]2(C[C@@](C2(C)C)(C(=C1)C)[H])[H])c1cnc(cc1)OC |
| SPLASH |
splash10-004m-0970000000-671488634fb04f558dda |
| Sample Comments |
dr > 99:1 |
| Source of Spectrum |
ACI-58-SM48-12d |
| Thin-Layer Chromatography |
Rf = 0.36 (hexane/EtOAc 80:20, UV, KMnO4, PAA) |
| Wiley ID |
1840506 |
![(-)-2-(6-Methoxypyridin-3-yl)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol](/api/spectrum/9pumx7R7Q4s/structure.png?h=300&w=458 "(-)-2-(6-Methoxypyridin-3-yl)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol")
