![(phenylmethyl) 2-[(16R)-16-oxidanylheptadecyl]-6-phenylmethoxy-benzoate](/api/spectrum/4i2CL3Wvpym/structure.png?h=300&w=458 "(phenylmethyl) 2-[(16R)-16-oxidanylheptadecyl]-6-phenylmethoxy-benzoate")
| SpectraBase Compound ID | CRK0cYUfggH |
|---|---|
| InChI | InChI=1S/C38H52O4/c1-32(39)22-15-11-9-7-5-3-2-4-6-8-10-12-20-27-35-28-21-29-36(41-30-33-23-16-13-17-24-33)37(35)38(40)42-31-34-25-18-14-19-26-34/h13-14,16-19,21,23-26,28-29,32,39H,2-12,15,20,22,27,30-31H2,1H3/t32-/m1/s1 |
| InChIKey | UHGPVIWOPFOEIB-JGCGQSQUSA-N |
| Mol Weight | 572.8 g/mol |
| Molecular Formula | C38H52O4 |
| Exact Mass | 572.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4i2CL3Wvpym |
|---|---|
| Name | (Phenylmethyl) 2-[(16R)-16-oxidanylheptadecyl]-6-phenylmethoxy-benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 572.386560150 u |
| Formula | C38H52O4 |
| InChI | InChI=1S/C38H52O4/c1-32(39)22-15-11-9-7-5-3-2-4-6-8-10-12-20-27-35-28-21-29-36(41-30-33-23-16-13-17-24-33)37(35)38(40)42-31-34-25-18-14-19-26-34/h13-14,16-19,21,23-26,28-29,32,39H,2-12,15,20,22,27,30-31H2,1H3/t32-/m1/s1 |
| InChIKey | UHGPVIWOPFOEIB-JGCGQSQUSA-N |
| Molecular Weight | 572.830 g/mol |
| SMILES | C=1(C(OCC=2C=CC=CC2)=O)C(OCC=2C=CC=CC2)=CC=CC1CCCCCCCCCCCCCCC[C@](O)(C)[H] |