| SpectraBase Spectrum ID |
KXG3GlXKsup |
| Name |
(S)-2-allyl-2-(benzo[d][1,3]dioxol-5-yl)cyclohexan-1-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.125594437 u |
| Formula |
C16H18O3 |
| InChI |
InChI=1S/C16H18O3/c1-2-8-16(9-4-3-5-15(16)17)12-6-7-13-14(10-12)19-11-18-13/h2,6-7,10H,1,3-5,8-9,11H2/t16-/m1/s1 |
| InChIKey |
HMEPTMBDZJIUCY-MRXNPFEDSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201601545 |
| Molecular Weight |
258.317 g/mol |
| Optical Rotation |
[a]D = +247.7 (c = 0.75, CH2Cl2) |
| Quality |
138 |
| Reported Formula |
C16H18O3 |
| SMILES |
C1C([C@](CCC1)(C1=CC2=C(C=C1)OCO2)CC=C)=O |
| SPLASH |
splash10-00kr-0790000000-e48ddf3dc411b2a4b0ad |
| Sample Comments |
er = 96:4 (method A), 95.5:4.5 (method B) |
| Source of Spectrum |
ACI-55-SM12-2g (DOI: 10.1002/anie.201601545) |
| Wiley ID |
1897448 |
![(S)-2-allyl-2-(benzo[d][1,3]dioxol-5-yl)cyclohexan-1-one](/api/spectrum/KXG3GlXKsup/structure.png?h=300&w=458 "(S)-2-allyl-2-(benzo[d][1,3]dioxol-5-yl)cyclohexan-1-one")
