| SpectraBase Spectrum ID |
99Njlmoy0WO |
| Name |
(+)-2-(3-Chloro-4-fluorophenyl)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol |
| Appearance |
Light yellow oil, |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18ClFO |
| InChI |
InChI=1S/C16H18ClFO/c1-9-8-16(19,14-7-11(9)15(14,2)3)10-4-5-13(18)12(17)6-10/h4-6,8,11,14,19H,7H2,1-3H3/t11-,14-,16+/m1/s1 |
| InChIKey |
AYKZIGUMFHDJEP-XFJVYGCCSA-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 |
280.770 g/mol |
| Optical Rotation |
[a]D22= +4.50 (b = 1.19, CH2Cl2) |
| Reported Formula |
C16H18ClFO |
| SMILES |
O[C@]1([C@@]2(C[C@@](C2(C)C)(C(=C1)C)[H])[H])c1cc(c(cc1)F)Cl |
| SPLASH |
splash10-07cs-0970000000-b539716dbe1eaea8fdfb |
| Source of Spectrum |
ACI-58-SM49-12e |
| Thin-Layer Chromatography |
Rf = 0.54 (hexane/EtOAc 80:20, UV, KMnO4, PAA) |
| Wiley ID |
1840507 |
![(+)-2-(3-Chloro-4-fluorophenyl)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol](/api/spectrum/99Njlmoy0WO/structure.png?h=300&w=458 "(+)-2-(3-Chloro-4-fluorophenyl)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol")
