| SpectraBase Compound ID | TmPhuan0Gp |
|---|---|
| InChI | InChI=1S/C12H12O2/c1-3-10(2)14-12(13)9-11-7-5-4-6-8-11/h1,4-8,10H,9H2,2H3 |
| InChIKey | VXNDJPDQNAXPHL-UHFFFAOYSA-N |
| Mol Weight | 188.23 g/mol |
| Molecular Formula | C12H12O2 |
| Exact Mass | 188.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5kXXihTKw5t |
|---|---|
| Name | Benzeneacetic acid, 1-methyl-2-propynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.083729624 u |
| Formula | C12H12O2 |
| InChI | InChI=1S/C12H12O2/c1-3-10(2)14-12(13)9-11-7-5-4-6-8-11/h1,4-8,10H,9H2,2H3 |
| InChIKey | VXNDJPDQNAXPHL-UHFFFAOYSA-N |
| Molecular Weight | 188.226 g/mol |
| SMILES | C(CC1=CC=CC=C1)(OC(C#C)C)=O |