| SpectraBase Spectrum ID |
1WVsXxPFFie |
| Name |
Methyl 5-(3-chlorophenyl)-5-hydroxy-4-nitropentanoate |
| Alternate Name(s) |
(4S,5S)-methyl 5-(3-chlorophenyl)-5-hydroxy-4-nitropentanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14ClNO5 |
| InChI |
InChI=1S/C12H14ClNO5/c1-19-11(15)6-5-10(14(17)18)12(16)8-3-2-4-9(13)7-8/h2-4,7,10,12,16H,5-6H2,1H3/t10-,12-/m0/s1 |
| InChIKey |
IQIRUDLWENPDSM-JQWIXIFHSA-N |
| Literature Reference DOI |
10.1021/ol1010888 |
| Molecular Weight |
287.699 g/mol |
| SMILES |
O[C@@](c1cc(ccc1)Cl)([C@@]([N+](=O)[O-])(CCC(OC)=O)[H])[H] |
| SPLASH |
splash10-004u-5900000000-159b1e0476fd30b75844 |
| Source of Spectrum |
A1-12-3058/SMS8-3i_Synisomer |
| Wiley ID |
1752332 |
