| SpectraBase Compound ID | 8CyzReI1UFf |
|---|---|
| InChI | InChI=1S/C24H32O4/c1-2-3-4-7-10-27-23(25)20-8-5-6-9-21(20)24(26)28-22-18-12-16-11-17(14-18)15-19(22)13-16/h5-6,8-9,16-19,22H,2-4,7,10-15H2,1H3/t16-,17+,18-,19+,22- |
| InChIKey | REWRBBJOGFIZGH-SNRWMIJCSA-N |
| Mol Weight | 384.5 g/mol |
| Molecular Formula | C24H32O4 |
| Exact Mass | 384.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4pO1NYVuoeU |
|---|---|
| Name | Phthalic acid, 2-adamantyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.230059506 u |
| Formula | C24H32O4 |
| InChI | InChI=1S/C24H32O4/c1-2-3-4-7-10-27-23(25)20-8-5-6-9-21(20)24(26)28-22-18-12-16-11-17(14-18)15-19(22)13-16/h5-6,8-9,16-19,22H,2-4,7,10-15H2,1H3/t16-,17+,18-,19+,22- |
| InChIKey | REWRBBJOGFIZGH-SNRWMIJCSA-N |
| Molecular Weight | 384.516 g/mol |
| SMILES | CCCCCCOC(C1=CC=CC=C1C(OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])=O)=O |