| SpectraBase Compound ID | Caa7xTh9dYi |
|---|---|
| InChI | InChI=1S/C21H24O3/c1-4-5-6-7-16-21(22,17-8-12-19(23-2)13-9-17)18-10-14-20(24-3)15-11-18/h8-15,22H,4-6H2,1-3H3 |
| InChIKey | VXMROZNSDAQRRG-UHFFFAOYSA-N |
| Mol Weight | 324.42 g/mol |
| Molecular Formula | C21H24O3 |
| Exact Mass | 324.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6zzSfiJFrjO |
|---|---|
| Name | 1,1'-bis(4-Methoxyphenyl)hept-2-yn-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.172544630 u |
| Formula | C21H24O3 |
| InChI | InChI=1S/C21H24O3/c1-4-5-6-7-16-21(22,17-8-12-19(23-2)13-9-17)18-10-14-20(24-3)15-11-18/h8-15,22H,4-6H2,1-3H3 |
| InChIKey | VXMROZNSDAQRRG-UHFFFAOYSA-N |
| Molecular Weight | 324.420 g/mol |
| SMILES | C(C#CCCCC)(O)(C=1C=CC(=CC1)OC)C1=CC=C(C=C1)OC |