| SpectraBase Compound ID | 47XNaH90ssz |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-10(2)8-11-6-4-5-7-12(11)16-9-13(14)15-3/h4-7,10H,8-9H2,1-3H3 |
| InChIKey | MQIJSZZGUKMJAP-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | El3bJsXWt5b |
|---|---|
| Name | Methyl (2-isobutylphenoxy)acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-10(2)8-11-6-4-5-7-12(11)16-9-13(14)15-3/h4-7,10H,8-9H2,1-3H3 |
| InChIKey | MQIJSZZGUKMJAP-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C=1(C(OCC(=O)OC)=CC=CC1)CC(C)C |