| SpectraBase Compound ID | EyKtcW7aG0W |
|---|---|
| InChI | InChI=1S/C27H38O4/c1-2-3-4-5-6-7-10-13-30-26(28)23-11-8-9-12-24(23)27(29)31-25-21-15-19-14-20(17-21)18-22(25)16-19/h8-9,11-12,19-22,25H,2-7,10,13-18H2,1H3/t19-,20+,21-,22+,25- |
| InChIKey | YCSBDSOSFOWPSS-BRGBTRMLSA-N |
| Mol Weight | 426.6 g/mol |
| Molecular Formula | C27H38O4 |
| Exact Mass | 426.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HdQB5Eu43Mx |
|---|---|
| Name | Phthalic acid, 2-adamantyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.277009700 u |
| Formula | C27H38O4 |
| InChI | InChI=1S/C27H38O4/c1-2-3-4-5-6-7-10-13-30-26(28)23-11-8-9-12-24(23)27(29)31-25-21-15-19-14-20(17-21)18-22(25)16-19/h8-9,11-12,19-22,25H,2-7,10,13-18H2,1H3/t19-,20+,21-,22+,25- |
| InChIKey | YCSBDSOSFOWPSS-BRGBTRMLSA-N |
| Molecular Weight | 426.597 g/mol |
| SMILES | CCCCCCCCCOC(C1=CC=CC=C1C(OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])=O)=O |