| SpectraBase Compound ID | 3RBTV14vUEN |
|---|---|
| InChI | InChI=1S/C28H34O5/c1-17(2)8-9-19(18(3)4)14-23-25(31-6)13-12-21-24(29)16-27(33-28(21)23)22-11-10-20(30-5)15-26(22)32-7/h8,10-13,15,19,27H,3,9,14,16H2,1-2,4-7H3/t19?,27-/m0/s1 |
| InChIKey | JOAQJJJJIMKJFV-NZVRHLSZSA-N |
| Mol Weight | 450.6 g/mol |
| Molecular Formula | C28H34O5 |
| Exact Mass | 450.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8kI5eyuq3eh |
|---|---|
| Name | Lehmanin - trimethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 450.240624190 u |
| Formula | C28H34O5 |
| InChI | InChI=1S/C28H34O5/c1-17(2)8-9-19(18(3)4)14-23-25(31-6)13-12-21-24(29)16-27(33-28(21)23)22-11-10-20(30-5)15-26(22)32-7/h8,10-13,15,19,27H,3,9,14,16H2,1-2,4-7H3/t19?,27-/m0/s1 |
| InChIKey | JOAQJJJJIMKJFV-NZVRHLSZSA-N |
| Molecular Weight | 450.575 g/mol |
| SMILES | C1=2O[C@](C=3C(=CC(=CC3)OC)OC)(CC(C1=CC=C(C2CC(C(=C)C)CC=C(C)C)OC)=O)[H] |