| SpectraBase Spectrum ID |
33nePwvImDE |
| Name |
Hexanedioic acid, 5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methyl-, dimethyl ester, [R*,S*-(E)]-(.+-.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.125988358 u |
| Formula |
C12H20O6 |
| InChI |
InChI=1S/C12H20O6/c1-5-9(10(14)17-3)6-8(2)12(16,7-13)11(15)18-4/h5,8,13,16H,6-7H2,1-4H3/b9-5+/t8-,12-/m0/s1 |
| InChIKey |
GCSOQVHCKDONII-PWCQPNCDSA-N |
| Molecular Weight |
260.286 g/mol |
| SMILES |
[C@](C(=O)OC)([C@](C\C(C(=O)OC)=C/C)(C)[H])(O)CO |
![Hexanedioic acid, 5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methyl-, dimethyl ester, [R*,S*-(E)]-(.+-.)-](/api/spectrum/33nePwvImDE/structure.png?h=300&w=458 "Hexanedioic acid, 5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methyl-, dimethyl ester, [R*,S*-(E)]-(.+-.)-")
