| SpectraBase Spectrum ID |
KZ0Zn0oSX4U |
| Name |
Terephthalic acid, 1-adamantylmethyl butyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.214409442 u |
| Formula |
C23H30O4 |
| InChI |
InChI=1S/C23H30O4/c1-2-3-8-26-21(24)19-4-6-20(7-5-19)22(25)27-15-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-7,16-18H,2-3,8-15H2,1H3/t16-,17+,18-,23- |
| InChIKey |
VAOZPLWJSSSOMM-BRGRSMLUSA-N |
| Molecular Weight |
370.489 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OCCCC)=O)C(OCC12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])=O |
