| SpectraBase Spectrum ID |
3FnMf3A9yff |
| Name |
(2RS)-2-{4-[(2SR,3SR)-3-hydroxy-4-methylpentan-2-yl]phenyl}propyl hydrogen adipate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O5 |
| InChI |
InChI=1S/C21H32O5/c1-14(2)21(25)16(4)18-11-9-17(10-12-18)15(3)13-26-20(24)8-6-5-7-19(22)23/h9-12,14-16,21,25H,5-8,13H2,1-4H3,(H,22,23) |
| InChIKey |
IUUNJIJFMJLSFH-UHFFFAOYSA-N |
| Molecular Weight |
364.482 g/mol |
| SMILES |
OC(C(c1ccc(C(COC(CCCCC(=O)O)=O)C)cc1)C)C(C)C |
| SPLASH |
splash10-014l-0049000000-3639433958568d460415 |
| Source of Spectrum |
KC-0-1202-0 |
| Synonyms |
6-{2-[4-(2-hydroxy-1,3-dimethylbutyl)phenyl]propoxy}-6-oxohexanoic acid |
| Wiley ID |
785772 |
![(2RS)-2-{4-[(2SR,3SR)-3-hydroxy-4-methylpentan-2-yl]phenyl}propyl hydrogen adipate](/api/spectrum/3FnMf3A9yff/structure.png?h=300&w=458 "(2RS)-2-{4-[(2SR,3SR)-3-hydroxy-4-methylpentan-2-yl]phenyl}propyl hydrogen adipate")
