| SpectraBase Compound ID | 5Kv1qfAE0W0 |
|---|---|
| InChI | InChI=1S/C18H24O/c1-2-13-3-5-16(6-4-13)17-8-14-7-15(9-17)11-18(19,10-14)12-17/h3-6,14-15,19H,2,7-12H2,1H3/t14-,15+,17+,18- |
| InChIKey | YXEJIRVDVAIVBW-YJEJQGFLSA-N |
| Mol Weight | 256.39 g/mol |
| Molecular Formula | C18H24O |
| Exact Mass | 256.182715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4YqFBjJrdUt |
|---|---|
| Name | 3-(p-Ethylphenyl)adamantanol-1 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.182715392 u |
| Formula | C18H24O |
| InChI | InChI=1S/C18H24O/c1-2-13-3-5-16(6-4-13)17-8-14-7-15(9-17)11-18(19,10-14)12-17/h3-6,14-15,19H,2,7-12H2,1H3/t14-,15+,17+,18- |
| InChIKey | YXEJIRVDVAIVBW-YJEJQGFLSA-N |
| Molecular Weight | 256.389 g/mol |
| SMILES | CCC1=CC=C(C=C1)[C@]12C[C@]3(C[C@@](C2)(C[C@](O)(C3)C1)[H])[H] |