| SpectraBase Spectrum ID |
5gye5vJeBqw |
| Name |
(2rs)-2-{4-[(2sr,3sr)-3-Hydroxy-4-methylpentan-2-yl]phenyl}propyl hydrogen adipate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.224974125 u |
| 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 |
C(C(C(C)C)O)(C1=CC=C(C=C1)C(COC(=O)CCCCC(=O)O)C)C |
![(2rs)-2-{4-[(2sr,3sr)-3-Hydroxy-4-methylpentan-2-yl]phenyl}propyl hydrogen adipate](/api/spectrum/5gye5vJeBqw/structure.png?h=300&w=458 "(2rs)-2-{4-[(2sr,3sr)-3-Hydroxy-4-methylpentan-2-yl]phenyl}propyl hydrogen adipate")
