| SpectraBase Spectrum ID |
IthptlUqVLq |
| Name |
(S)-2,2-dimethyl-4-nitro-3-phenylbutanal |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H15NO3 |
| InChI |
InChI=1S/C12H15NO3/c1-12(2,9-14)11(8-13(15)16)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m0/s1 |
| InChIKey |
RDPSRQAHEBIFRW-NSHDSACASA-N |
| Instrument Name |
Agilent 6890N-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.202000335 |
| Molecular Weight |
221.256 g/mol |
| Optical Rotation |
[a]D20 = -5.0, (c = 1, CHCl3) |
| SMILES |
C(=O)C([C@@](C[N+](=O)[O-])(c1ccccc1)[H])(C)C |
| SPLASH |
splash10-0udi-6900000000-17bbd43d9565dbd38816 |
| Source of Spectrum |
ASC-362-SM75-21 |
| Wiley ID |
1855522 |
