| SpectraBase Spectrum ID |
Cg4c26kQaqC |
| Name |
(S)-2-allyl-2-(4-nitrophenyl)cyclohexan-1-one |
| Appearance |
Slightly yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.120843408 u |
| Formula |
C15H17NO3 |
| InChI |
InChI=1S/C15H17NO3/c1-2-10-15(11-4-3-5-14(15)17)12-6-8-13(9-7-12)16(18)19/h2,6-9H,1,3-5,10-11H2/t15-/m1/s1 |
| InChIKey |
LCPOVYULJILJJE-OAHLLOKOSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201601545 |
| Molecular Weight |
259.305 g/mol |
| Optical Rotation |
[a]D = +214.8 (c = 0.8, CH2Cl2) |
| Quality |
112 |
| Reported Formula |
C15H17NO3 |
| SMILES |
C1C([C@](CCC1)(C1=CC=C(C=C1)[N+]([O-])=O)CC=C)=O |
| SPLASH |
splash10-06ri-0910000000-7ffbfe7e952b305a197c |
| Sample Comments |
er = 95.5:4.5 |
| Source of Spectrum |
ACI-55-SM10-2c (DOI: 10.1002/anie.201601545) |
| Wiley ID |
1897444 |
