| SpectraBase Spectrum ID |
5WfXSjfPubW |
| Name |
(3R,4R)-3-Hydroxy-5-nitro-4-(4-methylphenyl)pentan-2-one |
| Alternate Name(s) |
(3R,4R)-3-hydroxy-5-nitro-4-(p-tolyl)pentan-2-one |
| Comments |
Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1767669 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H15NO4 |
| InChI |
InChI=1S/C12H15NO4/c1-8-3-5-10(6-4-8)11(7-13(16)17)12(15)9(2)14/h3-6,11-12,15H,7H2,1-2H3/t11-,12-/m0/s1 |
| InChIKey |
OKBCYQGTLOWMHJ-RYUDHWBXSA-N |
| Molecular Weight |
237.255 g/mol |
| SMILES |
O[C@]([C@@](CN(=O)=O)(c1ccc(cc1)C)[H])(C(C)=O)[H] |
| SPLASH |
splash10-00kb-4900000000-8861f775705d0c759cbc |
| Source of Spectrum |
ASC-346-1161-anti_10b |
| Wiley ID |
1821343 |
