| SpectraBase Compound ID | L1cpNLOqpNc |
|---|---|
| InChI | InChI=1S/C26H36O4/c1-3-5-8-17(4-2)16-29-25(27)22-9-6-7-10-23(22)26(28)30-24-20-12-18-11-19(14-20)15-21(24)13-18/h6-7,9-10,17-21,24H,3-5,8,11-16H2,1-2H3/t17?,18-,19+,20-,21+,24? |
| InChIKey | DFHFONARXVKJTK-XKKYYNBOSA-N |
| Mol Weight | 412.6 g/mol |
| Molecular Formula | C26H36O4 |
| Exact Mass | 412.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6xMlLifM4jZ |
|---|---|
| Name | Phthalic acid, 2-adamantyl 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.261359635 u |
| Formula | C26H36O4 |
| InChI | InChI=1S/C26H36O4/c1-3-5-8-17(4-2)16-29-25(27)22-9-6-7-10-23(22)26(28)30-24-20-12-18-11-19(14-20)15-21(24)13-18/h6-7,9-10,17-21,24H,3-5,8,11-16H2,1-2H3/t17?,18-,19+,20-,21+,24? |
| InChIKey | DFHFONARXVKJTK-XKKYYNBOSA-N |
| Molecular Weight | 412.570 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OCC(CC)CCCC)=O)C(OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])=O |