| SpectraBase Compound ID | Gfu8l0OH2Gm |
|---|---|
| InChI | InChI=1S/C29H34O5/c1-4-6-8-14-23-17-25(33-20-21-12-9-7-10-13-21)19-27(30)28(23)29(31)34-26-16-22(11-5-2)15-24(18-26)32-3/h7,9-10,12-13,15-19,30H,4-6,8,11,14,20H2,1-3H3 |
| InChIKey | KTNKUXSDFFGMFQ-UHFFFAOYSA-N |
| Mol Weight | 462.6 g/mol |
| Molecular Formula | C29H34O5 |
| Exact Mass | 462.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EvAZDm6ud5q |
|---|---|
| Name | 3'-Methoxy-5'-propylphenyl 4-benzyloxy-2-hydroxy-6-pentylbenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 462.240624190 u |
| Formula | C29H34O5 |
| InChI | InChI=1S/C29H34O5/c1-4-6-8-14-23-17-25(33-20-21-12-9-7-10-13-21)19-27(30)28(23)29(31)34-26-16-22(11-5-2)15-24(18-26)32-3/h7,9-10,12-13,15-19,30H,4-6,8,11,14,20H2,1-3H3 |
| InChIKey | KTNKUXSDFFGMFQ-UHFFFAOYSA-N |
| Molecular Weight | 462.586 g/mol |
| SMILES | C=1(C(OC=2C=C(OC)C=C(C2)CCC)=O)C(=CC(=CC1CCCCC)OCC1=CC=CC=C1)O |