| SpectraBase Compound ID | AvmS6yuAVlB |
|---|---|
| InChI | InChI=1S/C17H22O/c1-3-5-6-7-8-12-15-17(18,4-2)16-13-10-9-11-14-16/h3,5-6,8-14,18H,1,4,7,15H2,2H3/b6-5+,12-8+ |
| InChIKey | MRPDXOMUHHESCB-DOQHAEMYSA-N |
| Mol Weight | 242.36 g/mol |
| Molecular Formula | C17H22O |
| Exact Mass | 242.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2mlFRlexNKD |
|---|---|
| Name | Benzenemethanol, .alpha.-ethyl-.alpha.-2,5,7-octatrienyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.167065327 u |
| Formula | C17H22O |
| InChI | InChI=1S/C17H22O/c1-3-5-6-7-8-12-15-17(18,4-2)16-13-10-9-11-14-16/h3,5-6,8-14,18H,1,4,7,15H2,2H3/b6-5+,12-8+ |
| InChIKey | MRPDXOMUHHESCB-DOQHAEMYSA-N |
| Molecular Weight | 242.362 g/mol |
| SMILES | C(C(CC)(O)C1=CC=CC=C1)\C=C\C\C=C\C=C |