![3-Phenyl-3-[2"-(3"'-phenylpropyl)-6"-(ethoxycarbonylmethoxy)-3"-phenyl]-1-(2'-<ethoxycarbonylmethoxy>phenyl)-propane](/api/spectrum/2O9VBH4IFuT/structure.png?h=300&w=458 "3-Phenyl-3-[2\"-(3\"'-phenylpropyl)-6\"-(ethoxycarbonylmethoxy)-3\"-phenyl]-1-(2'-<ethoxycarbonylmethoxy>phenyl)-propane")
| SpectraBase Compound ID | srkBpWUVOp |
|---|---|
| InChI | InChI=1S/C38H42O6/c1-3-41-37(39)27-43-35-21-12-11-19-31(35)22-24-34(30-17-9-6-10-18-30)32-23-25-36(44-28-38(40)42-4-2)33(26-32)20-13-16-29-14-7-5-8-15-29/h5-12,14-15,17-19,21,23,25-26,34H,3-4,13,16,20,22,24,27-28H2,1-2H3 |
| InChIKey | PWLDXPGQYDWPGP-UHFFFAOYSA-N |
| Mol Weight | 594.7 g/mol |
| Molecular Formula | C38H42O6 |
| Exact Mass | 594.298139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2O9VBH4IFuT |
|---|---|
| Name | 3-Phenyl-3-[2""""-(3""""'-phenylpropyl)-6""""-(ethoxycarbonylmethoxy)-3""""-phenyl]-1-(2'- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 594.298139066 u |
| Formula | C38H42O6 |
| InChI | InChI=1S/C38H42O6/c1-3-41-37(39)27-43-35-21-12-11-19-31(35)22-24-34(30-17-9-6-10-18-30)32-23-25-36(44-28-38(40)42-4-2)33(26-32)20-13-16-29-14-7-5-8-15-29/h5-12,14-15,17-19,21,23,25-26,34H,3-4,13,16,20,22,24,27-28H2,1-2H3 |
| InChIKey | PWLDXPGQYDWPGP-UHFFFAOYSA-N |
| Molecular Weight | 594.748 g/mol |
| SMILES | C=1(C=C(CCCC=2C=CC=CC2)C(=CC1)OCC(=O)OCC)C(CCC=1C(OCC(=O)OCC)=CC=CC1)C1=CC=CC=C1 |