| SpectraBase Spectrum ID |
C8Ou28ySyct |
| Name |
(R)-7-Phenylazepan-2-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
189.115364106 u |
| Formula |
C12H15NO |
| InChI |
InChI=1S/C12H15NO/c14-12-9-5-4-8-11(13-12)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,13,14)/t11-/m1/s1 |
| InChIKey |
MBKSRTDXOKWUME-LLVKDONJSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo400164y |
| Molecular Weight |
189.258 g/mol |
| Optical Rotation |
[a]D20 = +44.0 (c = 0.5, CHCl3) |
| Quality |
195 |
| SMILES |
N1C(CCCC[C@@]1(C=1C=CC=CC1)[H])=O |
| SPLASH |
splash10-0a4i-1900000000-f9631a17029355cb247d |
| Sample Comments |
98% ee |
| Source of Spectrum |
JOC-78-3652-4l (DOI: 10.1021/jo400164y) |
| Thin-Layer Chromatography |
0.31 (hexane/ethyl acetate, 2:3) |
| Wiley ID |
1912515 |
