| SpectraBase Compound ID | GopT9S19qD4 |
|---|---|
| InChI | InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-21-18(20)19-12-15-9-16(13-19)11-17(10-15)14-19/h15-17H,2-14H2,1H3/t15-,16+,17-,19- |
| InChIKey | HABNPYGVMJNTSQ-SXOLKLDHSA-N |
| Mol Weight | 292.5 g/mol |
| Molecular Formula | C19H32O2 |
| Exact Mass | 292.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ARfXXNFJBv7 |
|---|---|
| Name | 1-Adamantanecarboxylic acid, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.240230268 u |
| Formula | C19H32O2 |
| InChI | InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-21-18(20)19-12-15-9-16(13-19)11-17(10-15)14-19/h15-17H,2-14H2,1H3/t15-,16+,17-,19- |
| InChIKey | HABNPYGVMJNTSQ-SXOLKLDHSA-N |
| SMILES | CCCCCCCCOC(=O)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H] |