| SpectraBase Compound ID | 40TZiUbQrCx |
|---|---|
| InChI | InChI=1S/C20H26O5/c1-6-9(2)19(22)24-14-8-11(4)15-13(21)7-10(3)16(15)18-17(14)12(5)20(23)25-18/h7,9,12,14,16-18H,6,8H2,1-5H3/t9?,12-,14-,16-,17+,18+/m0/s1 |
| InChIKey | JQBDBJNLCLKASU-QAPOHZPLSA-N |
| Mol Weight | 346.42 g/mol |
| Molecular Formula | C20H26O5 |
| Exact Mass | 346.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lg8PschPwyB |
|---|---|
| Name | Austricin, 2-methylbutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.178023932 u |
| Formula | C20H26O5 |
| InChI | InChI=1S/C20H26O5/c1-6-9(2)19(22)24-14-8-11(4)15-13(21)7-10(3)16(15)18-17(14)12(5)20(23)25-18/h7,9,12,14,16-18H,6,8H2,1-5H3/t9?,12-,14-,16-,17+,18+/m0/s1 |
| InChIKey | JQBDBJNLCLKASU-QAPOHZPLSA-N |
| Molecular Weight | 346.423 g/mol |
| SMILES | [C@]12([H])[C@]3([H])C(=C(C)C[C@@]([C@@]2([H])[C@](C)(C(=O)O1)[H])(OC(=O)C(CC)C)[H])C(=O)C=C3C |