| SpectraBase Compound ID | 7wiJL8GldMq |
|---|---|
| InChI | InChI=1S/C19H22O5/c1-11(2)7-18(21)24-19(3,4)16-9-13-8-12-5-6-17(20)23-14(12)10-15(13)22-16/h5-6,8,10-11,16H,7,9H2,1-4H3 |
| InChIKey | IYONQLUBVWYCJP-UHFFFAOYSA-N |
| Mol Weight | 330.38 g/mol |
| Molecular Formula | C19H22O5 |
| Exact Mass | 330.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BBj8WgAgF8e |
|---|---|
| Name | Marmesin - isovalerrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.146723803 u |
| Formula | C19H22O5 |
| InChI | InChI=1S/C19H22O5/c1-11(2)7-18(21)24-19(3,4)16-9-13-8-12-5-6-17(20)23-14(12)10-15(13)22-16/h5-6,8,10-11,16H,7,9H2,1-4H3 |
| InChIKey | IYONQLUBVWYCJP-UHFFFAOYSA-N |
| Molecular Weight | 330.380 g/mol |
| SMILES | C=12OC(CC2=CC2=C(C1)OC(=O)C=C2)C(OC(=O)CC(C)C)(C)C |