| SpectraBase Spectrum ID |
7REfiXLH645 |
| Name |
Phthalic acid, 2-adamantyl propyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.183109313 u |
| Formula |
C21H26O4 |
| InChI |
InChI=1S/C21H26O4/c1-2-7-24-20(22)17-5-3-4-6-18(17)21(23)25-19-15-9-13-8-14(11-15)12-16(19)10-13/h3-6,13-16,19H,2,7-12H2,1H3/t13-,14+,15-,16+,19- |
| InChIKey |
HDFVGGXANNZXLN-HJZJKDKPSA-N |
| Molecular Weight |
342.435 g/mol |
| SMILES |
CCCOC(C1=CC=CC=C1C(OC1[C@]2(C[C@@]3(C[C@](C2)(C[C@]1(C3)[H])[H])[H])[H])=O)=O |
