| SpectraBase Spectrum ID |
IRF4Ve2i2U5 |
| Name |
Terephthalic acid, 2-adamantyl pentyl 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/c1-2-3-4-9-26-22(24)17-5-7-18(8-6-17)23(25)27-21-19-11-15-10-16(13-19)14-20(21)12-15/h5-8,15-16,19-21H,2-4,9-14H2,1H3/t15-,16+,19-,20+,21? |
| InChIKey |
SFCZWBWOKPPMKT-HQKNPNQUSA-N |
| Molecular Weight |
370.489 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(OCCCCC)=O |
