| SpectraBase Spectrum ID |
1U6XjlQesyv |
| Name |
(S)-1-(1-(benzo[d][1,3]dioxol-5-yl)propan-2-yl)cyclohexan-1-ol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.156894565 u |
| Formula |
C16H22O3 |
| InChI |
InChI=1S/C16H22O3/c1-12(16(17)7-3-2-4-8-16)9-13-5-6-14-15(10-13)19-11-18-14/h5-6,10,12,17H,2-4,7-9,11H2,1H3/t12-/m0/s1 |
| InChIKey |
BUXJGNDNKITWRI-LBPRGKRZSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
262.349 g/mol |
| Optical Rotation |
[a]D20 = +11.6 (c = 1.07, CHCl3) |
| Quality |
39 |
| Reported Formula |
C16H22O3 |
| SMILES |
OC1([C@](CC=2C=CC3=C(C2)OCO3)(C)[H])CCCCC1 |
| SPLASH |
splash10-000i-1900000000-b866bcc3523e2d3a39d7 |
| Sample Comments |
92% ee |
| Source of Spectrum |
ACI-62-SM50-(S)-4c (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908237 |
![(S)-1-(1-(benzo[d][1,3]dioxol-5-yl)propan-2-yl)cyclohexan-1-ol](/api/spectrum/1U6XjlQesyv/structure.png?h=300&w=458 "(S)-1-(1-(benzo[d][1,3]dioxol-5-yl)propan-2-yl)cyclohexan-1-ol")
