| SpectraBase Compound ID | H3GE2LcToJG |
|---|---|
| InChI | InChI=1S/C15H18O3/c1-3-4-5-8-17-12-6-7-14-13(10-12)11(2)9-15(16)18-14/h6-7,9-10H,3-5,8H2,1-2H3 |
| InChIKey | GZIVVJBWYIBEDA-UHFFFAOYSA-N |
| Mol Weight | 246.31 g/mol |
| Molecular Formula | C15H18O3 |
| Exact Mass | 246.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Vqmw8U4uCL |
|---|---|
| Name | 6-(N-Pentyl)oxy-4-methylcoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.125594437 u |
| Formula | C15H18O3 |
| InChI | InChI=1S/C15H18O3/c1-3-4-5-8-17-12-6-7-14-13(10-12)11(2)9-15(16)18-14/h6-7,9-10H,3-5,8H2,1-2H3 |
| InChIKey | GZIVVJBWYIBEDA-UHFFFAOYSA-N |
| Molecular Weight | 246.306 g/mol |
| SMILES | C1=C(C=C2C(=C1)OC(=O)C=C2C)OCCCCC |