| SpectraBase Spectrum ID |
HjGYKJgu31a |
| Name |
1,3-Pentanediol, 2,4-dimethyl-, 1-benzoate, [R-(R*,S*)]- |
| CAS Registry Number |
116315-33-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H20O3 |
| InChI |
InChI=1S/C14H20O3/c1-10(2)13(15)11(3)9-17-14(16)12-7-5-4-6-8-12/h4-8,10-11,13,15H,9H2,1-3H3/t11-,13+/m0/s1 |
| InChIKey |
MWZXDZRPELFKKU-WCQYABFASA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
O[C@@]([C@](COC(=O)c1ccccc1)(C)[H])(C(C)C)[H] |
| SPLASH |
splash10-000i-9300000000-afb0539bc9f48f2c9edc |
| Source of Spectrum |
KC-1988-90-15 |
| Synonyms |
(2S,3R)-3-hydroxy-2,4-dimethylpentyl benzoate |
| Wiley ID |
1238423 |
![1,3-Pentanediol, 2,4-dimethyl-, 1-benzoate, [R-(R*,S*)]-](/api/spectrum/HjGYKJgu31a/structure.png?h=300&w=458 "1,3-Pentanediol, 2,4-dimethyl-, 1-benzoate, [R-(R*,S*)]-")
