SpectraBase Spectrum ID |
CKk6oCJnZI3 |
Name |
Pimelic acid, 4-methyl-2-pentyl 3-phenylpropyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
362.245709571 u |
Formula |
C22H34O4 |
InChI |
InChI=1S/C22H34O4/c1-18(2)17-19(3)26-22(24)15-9-5-8-14-21(23)25-16-10-13-20-11-6-4-7-12-20/h4,6-7,11-12,18-19H,5,8-10,13-17H2,1-3H3 |
InChIKey |
GXAGWHDYQDXRMW-UHFFFAOYSA-N |
Molecular Weight |
362.510 g/mol |
SMILES |
C(OCCCC1=CC=CC=C1)(=O)CCCCCC(OC(CC(C)C)C)=O |