| SpectraBase Compound ID | 1MuTRv0cPcC |
|---|---|
| InChI | InChI=1S/C16H18O5/c1-3-4-5-9-20-15(17)12-10-11-7-6-8-13(19-2)14(11)21-16(12)18/h6-8,10H,3-5,9H2,1-2H3 |
| InChIKey | YKUCGDMUJNECFG-UHFFFAOYSA-N |
| Mol Weight | 290.31 g/mol |
| Molecular Formula | C16H18O5 |
| Exact Mass | 290.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IOvPrjy3252 |
|---|---|
| Name | 8-Methoxycoumarin-3-carboxylic acid, N-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.115423675 u |
| Formula | C16H18O5 |
| InChI | InChI=1S/C16H18O5/c1-3-4-5-9-20-15(17)12-10-11-7-6-8-13(19-2)14(11)21-16(12)18/h6-8,10H,3-5,9H2,1-2H3 |
| InChIKey | YKUCGDMUJNECFG-UHFFFAOYSA-N |
| SMILES | C1=C(OC)C=2OC(=O)C(=CC2C=C1)C(=O)OCCCCC |