| SpectraBase Compound ID | 3ycVxlTgBIl |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-15-9-7-13(8-10-16-11-14)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3 |
| InChIKey | KBGIXBCGHBVUDU-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6o7qAj7UijK |
|---|---|
| Name | Formic acid, 5-methoxy-3-phenylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-15-9-7-13(8-10-16-11-14)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3 |
| InChIKey | KBGIXBCGHBVUDU-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C1=CC=C(C=C1)C(CCOC=O)CCOC |