| SpectraBase Spectrum ID |
5MONfzmhR4Y |
| Name |
Methyl 5-hydroxy-4-nitro-5-p-tolylpentanoate |
| Alternate Name(s) |
(4S,5S)-methyl 5-hydroxy-4-nitro-5-(p-tolyl)pentanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H17NO5 |
| InChI |
InChI=1S/C13H17NO5/c1-9-3-5-10(6-4-9)13(16)11(14(17)18)7-8-12(15)19-2/h3-6,11,13,16H,7-8H2,1-2H3/t11-,13-/m0/s1 |
| InChIKey |
BXTQAFBNFAOLNN-AAEUAGOBSA-N |
| Literature Reference DOI |
10.1021/ol1010888 |
| Molecular Weight |
267.281 g/mol |
| SMILES |
O[C@@](c1ccc(cc1)C)([C@@]([N+](=O)[O-])(CCC(OC)=O)[H])[H] |
| SPLASH |
splash10-00di-2900000000-ae9c85229d77a28e1032 |
| Source of Spectrum |
A1-12-3058/SMS6-3g_Synisomer |
| Wiley ID |
1752331 |
