| SpectraBase Compound ID | BBxmPDFLRae |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-4-15-13(14-3)10-9-12-7-5-11(2)6-8-12/h5-8,13H,4H2,1-3H3 |
| InChIKey | XNSDETVSNBHSJE-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8s1hvlKokrr |
|---|---|
| Name | 1-(3-Ethoxy-3-methoxyprop-1-yn-1-yl)-4-methylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-4-15-13(14-3)10-9-12-7-5-11(2)6-8-12/h5-8,13H,4H2,1-3H3 |
| InChIKey | XNSDETVSNBHSJE-UHFFFAOYSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C(#CC1=CC=C(C=C1)C)C(OCC)OC |