| SpectraBase Compound ID | B4vxMKUdGNi |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-5-6-7-8-11-18-26-21(24)12-9-10-13-22(25)27-20-16-14-19(15-17-20)23(2,3)4/h14-17H,5-13,18H2,1-4H3 |
| InChIKey | UTQVVEFMXFISLK-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C23H36O4 |
| Exact Mass | 376.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2BZLQMl0Oe5 |
|---|---|
| Name | Adipic acid, heptyl 4-tert-butylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.261359635 u |
| Formula | C23H36O4 |
| InChI | InChI=1S/C23H36O4/c1-5-6-7-8-11-18-26-21(24)12-9-10-13-22(25)27-20-16-14-19(15-17-20)23(2,3)4/h14-17H,5-13,18H2,1-4H3 |
| InChIKey | UTQVVEFMXFISLK-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | C(=O)(CCCCC(OCCCCCCC)=O)OC1=CC=C(C=C1)C(C)(C)C |