| SpectraBase Spectrum ID |
3WiT7D053sK |
| Name |
(S)-3-(nitromethyl)cyclohexanone |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H11NO3 |
| InChI |
InChI=1S/C7H11NO3/c9-7-3-1-2-6(4-7)5-8(10)11/h6H,1-5H2/t6-/m0/s1 |
| InChIKey |
KZRJSGQVSDJUFG-LURJTMIESA-N |
| Instrument Name |
Agilent 6890N-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.202000335 |
| Molecular Weight |
157.169 g/mol |
| Optical Rotation |
[a]D20 = -9.3, (c = 1, CHCl3) |
| SMILES |
C1CC[C@@](CC1=O)(C[N+]([O-])=O)[H] |
| SPLASH |
splash10-0a4l-9000000000-ac3e643d308f4f297842 |
| Source of Spectrum |
ASC-362-SM76-25 |
| Wiley ID |
1855523 |
