| SpectraBase Compound ID | kk0MWPb4N |
|---|---|
| InChI | InChI=1S/C16H18O4/c1-3-4-5-6-13(17)12-8-11-10(2)7-16(19)20-15(11)9-14(12)18/h7-9,18H,3-6H2,1-2H3 |
| InChIKey | RRMBVHWLDAMVHO-UHFFFAOYSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C16H18O4 |
| Exact Mass | 274.120509 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Fn3RD7R460g |
|---|---|
| Name | 6-Hexanoyl-7-hydroxy-4-methylcoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.120509056 u |
| Formula | C16H18O4 |
| InChI | InChI=1S/C16H18O4/c1-3-4-5-6-13(17)12-8-11-10(2)7-16(19)20-15(11)9-14(12)18/h7-9,18H,3-6H2,1-2H3 |
| InChIKey | RRMBVHWLDAMVHO-UHFFFAOYSA-N |
| SMILES | OC1=C(C=C2C(=CC(OC2=C1)=O)C)C(CCCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.956586 |