| SpectraBase Compound ID | KBQPrhdPJcO |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-11(17-12(2)10-14(15)16)8-9-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,15,16) |
| InChIKey | AWWDTKGZXSVFAE-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ZV9VgXkYK6 |
|---|---|
| Name | Butanoic acid, 3-(1-methyl-3-phenylpropoxy) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.141244501 u |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c1-11(17-12(2)10-14(15)16)8-9-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,15,16) |
| InChIKey | AWWDTKGZXSVFAE-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C1=CC(CCC(OC(CC(O)=O)C)C)=CC=C1 |