| SpectraBase Spectrum ID |
KH176gHHHMP |
| Name |
1,3-Hexanediol, 2,4-dimethyl-, 1-benzoate, [2S-(2R*,3S*,4R*)]- |
| CAS Registry Number |
116315-34-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H22O3 |
| InChI |
InChI=1S/C15H22O3/c1-4-11(2)14(16)12(3)10-18-15(17)13-8-6-5-7-9-13/h5-9,11-12,14,16H,4,10H2,1-3H3/t11-,12-,14+/m0/s1 |
| InChIKey |
IREUCMAPVGUDOT-SGMGOOAPSA-N |
| Molecular Weight |
250.338 g/mol |
| SMILES |
O[C@@]([C@](COC(=O)c1ccccc1)(C)[H])([C@](CC)(C)[H])[H] |
| SPLASH |
splash10-0a4i-1900000000-11b7b1666424c33047c9 |
| Source of Spectrum |
KC-1988-90-15 |
| Synonyms |
(2S,3R,4S)-3-hydroxy-2,4-dimethylhexyl benzoate |
| Wiley ID |
1253675 |
![1,3-Hexanediol, 2,4-dimethyl-, 1-benzoate, [2S-(2R*,3S*,4R*)]-](/api/spectrum/KH176gHHHMP/structure.png?h=300&w=458 "1,3-Hexanediol, 2,4-dimethyl-, 1-benzoate, [2S-(2R*,3S*,4R*)]-")
