| SpectraBase Spectrum ID |
GfqapEw4n2m |
| Name |
Phthalic acid, 2-adamantyl isobutyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.198759378 u |
| Formula |
C22H28O4 |
| InChI |
InChI=1S/C22H28O4/c1-13(2)12-25-21(23)18-5-3-4-6-19(18)22(24)26-20-16-8-14-7-15(10-16)11-17(20)9-14/h3-6,13-17,20H,7-12H2,1-2H3/t14-,15+,16-,17+,20- |
| InChIKey |
OXXYDKISARLHBL-GWMUJUKVSA-N |
| Molecular Weight |
356.462 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OC1[C@]2(C[C@@]3(C[C@](C2)(C[C@]1(C3)[H])[H])[H])[H])=O)(=O)OCC(C)C |
