![2-{2'-[3''-(4''-Methylphenyl)prop-2''-ynyl]phenyl}-1,3-dioxolane](/api/spectrum/E5n3tK0X26o/structure.png?h=300&w=458 "2-{2'-[3''-(4''-Methylphenyl)prop-2''-ynyl]phenyl}-1,3-dioxolane")
| SpectraBase Compound ID | 3l81tj8RX7C |
|---|---|
| InChI | InChI=1S/C19H18O2/c1-15-9-11-16(12-10-15)5-4-7-17-6-2-3-8-18(17)19-20-13-14-21-19/h2-3,6,8-12,19H,7,13-14H2,1H3 |
| InChIKey | IYWOJESGWGRTEA-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C19H18O2 |
| Exact Mass | 278.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E5n3tK0X26o |
|---|---|
| Name | 2-{2'-[3''-(4''-methylphenyl)prop-2''-ynyl]phenyl}-1,3-dioxolane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.130679818 u |
| Formula | C19H18O2 |
| InChI | InChI=1S/C19H18O2/c1-15-9-11-16(12-10-15)5-4-7-17-6-2-3-8-18(17)19-20-13-14-21-19/h2-3,6,8-12,19H,7,13-14H2,1H3 |
| InChIKey | IYWOJESGWGRTEA-UHFFFAOYSA-N |
| Molecular Weight | 278.351 g/mol |
| SMILES | C(#CC=1C=CC(=CC1)C)CC=1C(C2OCCO2)=CC=CC1 |