| SpectraBase Spectrum ID |
LkQLntFdt7P |
| Name |
Terephthalic 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)16-3-5-17(6-4-16)22(24)26-20-18-8-14-7-15(10-18)11-19(20)9-14/h3-6,13-15,18-20H,7-12H2,1-2H3/t14-,15+,18-,19+,20? |
| InChIKey |
OTTXPXCTSYQPKL-GCTVEYNFSA-N |
| Molecular Weight |
356.462 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OC1[C@]2(C[C@@]3(C[C@](C2)(C[C@]1(C3)[H])[H])[H])[H])=O)C(OCC(C)C)=O |
