SpectraBase Spectrum ID |
5V5FNfphYah |
Name |
Phthalic acid, 2-(1-adamantyl)ethyl heptyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
426.277009700 u |
Formula |
C27H38O4 |
InChI |
InChI=1S/C27H38O4/c1-2-3-4-5-8-12-30-25(28)23-9-6-7-10-24(23)26(29)31-13-11-27-17-20-14-21(18-27)16-22(15-20)19-27/h6-7,9-10,20-22H,2-5,8,11-19H2,1H3 |
InChIKey |
KCFBIYOYEGHCHI-UHFFFAOYSA-N |
Molecular Weight |
426.597 g/mol |
SMILES |
C(OCCC12CC3CC(C2)CC(C1)C3)(=O)C1=C(C=CC=C1)C(OCCCCCCC)=O |