| SpectraBase Compound ID | 65GaEC0rJwQ |
|---|---|
| InChI | InChI=1S/C16H16O5/c1-9(17)19-13-8-11-12(21-16(13,2)3)6-4-10-5-7-14(18)20-15(10)11/h4-7,13H,8H2,1-3H3/t13-/m1/s1 |
| InChIKey | IQMXFAGTUXKIFK-CYBMUJFWSA-N |
| Mol Weight | 288.3 g/mol |
| Molecular Formula | C16H16O5 |
| Exact Mass | 288.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LAC1GmtS8Uw |
|---|---|
| Name | Lomatin acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.099773610 u |
| Formula | C16H16O5 |
| InChI | InChI=1S/C16H16O5/c1-9(17)19-13-8-11-12(21-16(13,2)3)6-4-10-5-7-14(18)20-15(10)11/h4-7,13H,8H2,1-3H3/t13-/m1/s1 |
| InChIKey | IQMXFAGTUXKIFK-CYBMUJFWSA-N |
| SMILES | C12=C3OC(=O)C=CC3=CC=C2OC([C@@](C1)(OC(=O)C)[H])(C)C |