| SpectraBase Compound ID | BH8Th6lRlPB |
|---|---|
| InChI | InChI=1S/C14H20O4/c1-4-5-6-9-18-12-8-7-11(14(15)17-3)10-13(12)16-2/h7-8,10H,4-6,9H2,1-3H3 |
| InChIKey | VJRFJGMPXURLEZ-UHFFFAOYSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C14H20O4 |
| Exact Mass | 252.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 98RKCLg1A2r |
|---|---|
| Name | Methyl vanillate, pentyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.136159120 u |
| Formula | C14H20O4 |
| InChI | InChI=1S/C14H20O4/c1-4-5-6-9-18-12-8-7-11(14(15)17-3)10-13(12)16-2/h7-8,10H,4-6,9H2,1-3H3 |
| InChIKey | VJRFJGMPXURLEZ-UHFFFAOYSA-N |
| Molecular Weight | 252.310 g/mol |
| SMILES | C(C1=CC(OC)=C(C=C1)OCCCCC)(=O)OC |