| SpectraBase Compound ID | GbDczGbQ8Hj |
|---|---|
| InChI | InChI=1S/C13H14O3/c1-3-13(2,14)7-6-10-4-5-11-12(8-10)16-9-15-11/h1,4-5,8,14H,6-7,9H2,2H3 |
| InChIKey | UNPRNWNZUHAPPW-UHFFFAOYSA-N |
| Mol Weight | 218.25 g/mol |
| Molecular Formula | C13H14O3 |
| Exact Mass | 218.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DSvQUv8jxm |
|---|---|
| Name | 1,3-Benzodioxole-5-propanol, alpha-ethynyl-alpha-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.094294308 u |
| Formula | C13H14O3 |
| InChI | InChI=1S/C13H14O3/c1-3-13(2,14)7-6-10-4-5-11-12(8-10)16-9-15-11/h1,4-5,8,14H,6-7,9H2,2H3 |
| InChIKey | UNPRNWNZUHAPPW-UHFFFAOYSA-N |
| Molecular Weight | 218.252 g/mol |
| SMILES | OC(C#C)(CCC=1C=C2OCOC2=CC1)C |