| SpectraBase Compound ID | 6Bv2bSMWHzI |
|---|---|
| InChI | InChI=1S/C13H12O2/c1-2-3-7-10-15-13(14)11-12-8-5-4-6-9-12/h1,3-9H,10-11H2/b7-3+ |
| InChIKey | GHMVFRGXYGUKSY-XVNBXDOJSA-N |
| Mol Weight | 200.24 g/mol |
| Molecular Formula | C13H12O2 |
| Exact Mass | 200.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cw7TRIRZm33 |
|---|---|
| Name | Phenylacetic acid, pent-2-en-4-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.083729624 u |
| Formula | C13H12O2 |
| InChI | InChI=1S/C13H12O2/c1-2-3-7-10-15-13(14)11-12-8-5-4-6-9-12/h1,3-9H,10-11H2/b7-3+ |
| InChIKey | GHMVFRGXYGUKSY-XVNBXDOJSA-N |
| Molecular Weight | 200.237 g/mol |
| SMILES | C(=O)(OC\C=C\C#C)CC1=CC=CC=C1 |