| SpectraBase Compound ID | IpQ1wFNIjVV |
|---|---|
| InChI | InChI=1S/C18H20O2/c1-3-9-14(2)18(19)20-17-13-8-7-12-16(17)15-10-5-4-6-11-15/h4-8,10-14H,3,9H2,1-2H3 |
| InChIKey | BHZVELAKMDGMRN-UHFFFAOYSA-N |
| Mol Weight | 268.36 g/mol |
| Molecular Formula | C18H20O2 |
| Exact Mass | 268.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CWgSnIO6bQQ |
|---|---|
| Name | 2-Methylpentanoic acid, 2-biphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.146329882 u |
| Formula | C18H20O2 |
| InChI | InChI=1S/C18H20O2/c1-3-9-14(2)18(19)20-17-13-8-7-12-16(17)15-10-5-4-6-11-15/h4-8,10-14H,3,9H2,1-2H3 |
| InChIKey | BHZVELAKMDGMRN-UHFFFAOYSA-N |
| SMILES | C(CC)C(C(=O)OC1=C(C2=CC=CC=C2)C=CC=C1)C |