| SpectraBase Compound ID | Idy8I37sxMN |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-3-4-5-6-7-13-22-18(20)11-12-19(21)23-15-17-10-8-9-16(2)14-17/h8-10,14H,3-7,11-13,15H2,1-2H3 |
| InChIKey | KZSFYQISTWLZTM-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 | EIZr0F8XXCc |
|---|---|
| Name | Succinic acid, heptyl 3-methylbenzyl 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/c1-3-4-5-6-7-13-22-18(20)11-12-19(21)23-15-17-10-8-9-16(2)14-17/h8-10,14H,3-7,11-13,15H2,1-2H3 |
| InChIKey | KZSFYQISTWLZTM-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(OC(=O)CCC(OCCCCCCC)=O)C=1C=CC=C(C)C1 |