| SpectraBase Spectrum ID |
3bzSR1gPFQ |
| Name |
(S)-2-(1-(benzo[d][1,3]dioxol-5-yl)-2-oxocyclohexyl)acetaldehyde |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.104858991 u |
| Formula |
C15H16O4 |
| InChI |
InChI=1S/C15H16O4/c16-8-7-15(6-2-1-3-14(15)17)11-4-5-12-13(9-11)19-10-18-12/h4-5,8-9H,1-3,6-7,10H2/t15-/m0/s1 |
| InChIKey |
BVXJPLGBQRTVRE-HNNXBMFYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201601545 |
| Molecular Weight |
260.289 g/mol |
| Optical Rotation |
[a]D = +153.1 (c=0.35, CH2Cl2) |
| Quality |
50 |
| Reported Formula |
C15H16O4 |
| SMILES |
C1C([C@](CCC1)(C1=CC2=C(C=C1)OCO2)CC=O)=O |
| SPLASH |
splash10-01p9-0970000000-c0c811e5cbfbf160877f |
| Sample Comments |
er = 95.5:4.5 |
| Source of Spectrum |
ACI-55-SM15-3 (DOI: 10.1002/anie.201601545) |
| Wiley ID |
1897453 |
![(S)-2-(1-(benzo[d][1,3]dioxol-5-yl)-2-oxocyclohexyl)acetaldehyde](/api/spectrum/3bzSR1gPFQ/structure.png?h=300&w=458 "(S)-2-(1-(benzo[d][1,3]dioxol-5-yl)-2-oxocyclohexyl)acetaldehyde")
