| SpectraBase Compound ID | 6LUMpvwG4cV |
|---|---|
| InChI | InChI=1S/C19H24O2/c20-18(9-14-4-2-1-3-5-14)21-13-19-10-15-6-16(11-19)8-17(7-15)12-19/h1-5,15-17H,6-13H2/t15-,16+,17-,19- |
| InChIKey | VKMYSAIUVWVKBS-SXOLKLDHSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C19H24O2 |
| Exact Mass | 284.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8r7FecSKp3T |
|---|---|
| Name | Phenylacetic acid, 1-adamantylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.177630011 u |
| Formula | C19H24O2 |
| InChI | InChI=1S/C19H24O2/c20-18(9-14-4-2-1-3-5-14)21-13-19-10-15-6-16(11-19)8-17(7-15)12-19/h1-5,15-17H,6-13H2/t15-,16+,17-,19- |
| InChIKey | VKMYSAIUVWVKBS-SXOLKLDHSA-N |
| SMILES | [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])COC(=O)CC1=CC=CC=C1)[H] |