| SpectraBase Compound ID | G9Yagj3RR3t |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-5-6-9-14-22-17(20)12-13-18(21)23-16-11-8-7-10-15(16)19(2,3)4/h7-8,10-11H,5-6,9,12-14H2,1-4H3 |
| InChIKey | LYLZZGUQYBYANF-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3B75b5gLKuw |
|---|---|
| Name | Succinic acid, pentyl 2-tert-butylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-5-6-9-14-22-17(20)12-13-18(21)23-16-11-8-7-10-15(16)19(2,3)4/h7-8,10-11H,5-6,9,12-14H2,1-4H3 |
| InChIKey | LYLZZGUQYBYANF-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(OC(CCC(OC1=CC=CC=C1C(C)(C)C)=O)=O)CCCC |