| SpectraBase Compound ID | FcYocL1LtEZ |
|---|---|
| InChI | InChI=1S/C41H48O7/c1-4-6-8-9-17-23-32-25-35(26-36(42)38(32)40(43)47-29-31-20-15-11-16-21-31)48-41(44)39-33(22-12-7-5-2)24-34(27-37(39)45-3)46-28-30-18-13-10-14-19-30/h10-11,13-16,18-21,24-27,42H,4-9,12,17,22-23,28-29H2,1-3H3 |
| InChIKey | KCTKZJULZQIWQG-UHFFFAOYSA-N |
| Mol Weight | 652.8 g/mol |
| Molecular Formula | C41H48O7 |
| Exact Mass | 652.340004 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4NoOTG2XV36 |
|---|---|
| Name | Benzyl 4-(4'-benzyloxy-2'-methoxy-6'-pentylbenzoyloxy)-6-heptyl-2-hydroxybenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 652.340003879 u |
| Formula | C41H48O7 |
| InChI | InChI=1S/C41H48O7/c1-4-6-8-9-17-23-32-25-35(26-36(42)38(32)40(43)47-29-31-20-15-11-16-21-31)48-41(44)39-33(22-12-7-5-2)24-34(27-37(39)45-3)46-28-30-18-13-10-14-19-30/h10-11,13-16,18-21,24-27,42H,4-9,12,17,22-23,28-29H2,1-3H3 |
| InChIKey | KCTKZJULZQIWQG-UHFFFAOYSA-N |
| Molecular Weight | 652.828 g/mol |
| SMILES | C=1(C(OC=2C=C(O)C(=C(C2)CCCCCCC)C(OCC=2C=CC=CC2)=O)=O)C(=CC(=CC1CCCCC)OCC=1C=CC=CC1)OC |