| SpectraBase Compound ID | C2JpfUc7nMs |
|---|---|
| InChI | InChI=1S/C18H18O3/c1-14(2)12-18(19)21-17-10-8-16(9-11-17)20-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3 |
| InChIKey | GGRWKPRIFNOMKV-UHFFFAOYSA-N |
| Mol Weight | 282.34 g/mol |
| Molecular Formula | C18H18O3 |
| Exact Mass | 282.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G80a39JG5DR |
|---|---|
| Name | 3-Methylbut-2-enoic acid, 4-benzyloxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.125594437 u |
| Formula | C18H18O3 |
| InChI | InChI=1S/C18H18O3/c1-14(2)12-18(19)21-17-10-8-16(9-11-17)20-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3 |
| InChIKey | GGRWKPRIFNOMKV-UHFFFAOYSA-N |
| SMILES | CC(C)=CC(OC1=CC=C(C=C1)OCC1=CC=CC=C1)=O |