| SpectraBase Spectrum ID |
IxJ5WsQ68TS |
| Name |
(1R,2R,3R,5R)-2,6,6-Trimethyl-3-(1-phenylvinyl)bicyclo[3.1.1]heptane |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H28 |
| InChI |
InChI=1S/C19H28/c1-13-12-18(14(2)16(4)19(13,5)6)15(3)17-10-8-7-9-11-17/h7-11,13-14,16,18H,3,12H2,1-2,4-6H3/t13-,14+,16+,18+/m0/s1 |
| InChIKey |
WQEJFYYBUHBOJK-GARXJVFOSA-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 |
256.433 g/mol |
| Optical Rotation |
[a]D20= -18.98 (b = 1.48, CH2Cl2) |
| Reported Formula |
C18H24 |
| SMILES |
[C@]1([C@@](C[C@@](C([C@@]1(C)[H])(C)C)(C)[H])(C(=C)c1ccccc1)[H])(C)[H] |
| SPLASH |
splash10-05nf-9700000000-923846cc2e6665c93536 |
| Sample Comments |
dr > 99:1 |
| Source of Spectrum |
ACI-58-SM46-11h |
| Thin-Layer Chromatography |
Rf = 0.70 (hexane/EtOAc 100:0, UV, KMnO4, PAA) |
| Wiley ID |
1840500 |
![(1R,2R,3R,5R)-2,6,6-Trimethyl-3-(1-phenylvinyl)bicyclo[3.1.1]heptane](/api/spectrum/IxJ5WsQ68TS/structure.png?h=300&w=458 "(1R,2R,3R,5R)-2,6,6-Trimethyl-3-(1-phenylvinyl)bicyclo[3.1.1]heptane")
