| SpectraBase Compound ID | I9JzYqIJtLU |
|---|---|
| InChI | InChI=1S/C23H36O5/c1-3-4-5-6-7-8-9-10-11-17-27-22(24)15-16-23(25)28-19-20-13-12-14-21(18-20)26-2/h12-14,18H,3-11,15-17,19H2,1-2H3 |
| InChIKey | NGGGGJONAYVXHZ-UHFFFAOYSA-N |
| Mol Weight | 392.5 g/mol |
| Molecular Formula | C23H36O5 |
| Exact Mass | 392.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IXaBoPSm7yg |
|---|---|
| Name | Succinic acid, 3-methoxybenzyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.256274254 u |
| Formula | C23H36O5 |
| InChI | InChI=1S/C23H36O5/c1-3-4-5-6-7-8-9-10-11-17-27-22(24)15-16-23(25)28-19-20-13-12-14-21(18-20)26-2/h12-14,18H,3-11,15-17,19H2,1-2H3 |
| InChIKey | NGGGGJONAYVXHZ-UHFFFAOYSA-N |
| Molecular Weight | 392.536 g/mol |
| SMILES | C(CCC(OCC=1C=C(C=CC1)OC)=O)(OCCCCCCCCCCC)=O |