| SpectraBase Compound ID | Buv1oHdwboJ |
|---|---|
| InChI | InChI=1S/C15H22O4/c1-6-18-14(16)11-7-8-12(13(9-11)17-5)19-10-15(2,3)4/h7-9H,6,10H2,1-5H3 |
| InChIKey | WJAQJAWHXPKVIS-UHFFFAOYSA-N |
| Mol Weight | 266.34 g/mol |
| Molecular Formula | C15H22O4 |
| Exact Mass | 266.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 87Qr3QWot6R |
|---|---|
| Name | Ethyl vanillate, neopentyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.151809184 u |
| Formula | C15H22O4 |
| InChI | InChI=1S/C15H22O4/c1-6-18-14(16)11-7-8-12(13(9-11)17-5)19-10-15(2,3)4/h7-9H,6,10H2,1-5H3 |
| InChIKey | WJAQJAWHXPKVIS-UHFFFAOYSA-N |
| Molecular Weight | 266.337 g/mol |
| SMILES | C1=C(OCC(C)(C)C)C(=CC(=C1)C(OCC)=O)OC |