| SpectraBase Spectrum ID |
7OgTaokEZ8K |
| Name |
(S)-1-(benzo[d][1,3]dioxol-5-yl)-3-ethyl-2-methylpentan-3-ol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.156894565 u |
| Formula |
C15H22O3 |
| InChI |
InChI=1S/C15H22O3/c1-4-15(16,5-2)11(3)8-12-6-7-13-14(9-12)18-10-17-13/h6-7,9,11,16H,4-5,8,10H2,1-3H3/t11-/m0/s1 |
| InChIKey |
LQZUQZBRLYRBJY-NSHDSACASA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
250.338 g/mol |
| Optical Rotation |
[a]D20 = -11.8 (c = 0.88, CHCl3) |
| Quality |
106 |
| Reported Formula |
C15H22O3 |
| SMILES |
OC([C@](CC=1C=CC2=C(C1)OCO2)(C)[H])(CC)CC |
| SPLASH |
splash10-000i-0940000000-2dfe5df919a3a3e14a1d |
| Sample Comments |
90% ee |
| Source of Spectrum |
ACI-62-SM48-(S)-4a (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908235 |
![(S)-1-(benzo[d][1,3]dioxol-5-yl)-3-ethyl-2-methylpentan-3-ol](/api/spectrum/7OgTaokEZ8K/structure.png?h=300&w=458 "(S)-1-(benzo[d][1,3]dioxol-5-yl)-3-ethyl-2-methylpentan-3-ol")
