| SpectraBase Compound ID | ACreSqA670P |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-3-4-5-11-6-8-12(9-7-11)10-13(14)15-2/h6-9H,3-5,10H2,1-2H3 |
| InChIKey | OGXWENQUBCGNFG-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ImPoGVOcyHk |
|---|---|
| Name | 2-(4-Butylphenyl)acetic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-3-4-5-11-6-8-12(9-7-11)10-13(14)15-2/h6-9H,3-5,10H2,1-2H3 |
| InChIKey | OGXWENQUBCGNFG-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(=O)(CC=1C=CC(=CC1)CCCC)OC |