| SpectraBase Compound ID | ARRGfDK90ae |
|---|---|
| InChI | InChI=1S/C14H16O2/c1-3-4-5-6-11-16-14(15)13-9-7-12(2)8-10-13/h7-10H,3-4,11H2,1-2H3 |
| InChIKey | YSAPOVFWYHMMEH-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C14H16O2 |
| Exact Mass | 216.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Ggg9lKq82t |
|---|---|
| Name | hex-2-yn-1-yl 4-Methylbenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.115029753 u |
| Formula | C14H16O2 |
| InChI | InChI=1S/C14H16O2/c1-3-4-5-6-11-16-14(15)13-9-7-12(2)8-10-13/h7-10H,3-4,11H2,1-2H3 |
| InChIKey | YSAPOVFWYHMMEH-UHFFFAOYSA-N |
| Molecular Weight | 216.280 g/mol |
| SMILES | C=1C=C(C(OCC#CCCC)=O)C=CC1C |