| SpectraBase Compound ID | 9xZheSBQqp5 |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-3-4-5-6-7-13-23-18(20)11-12-19(21)24-15-16-9-8-10-17(14-16)22-2/h8-10,14H,3-7,11-13,15H2,1-2H3 |
| InChIKey | BHVDPZCNFBEORZ-UHFFFAOYSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C19H28O5 |
| Exact Mass | 336.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2WkBIEmCUHk |
|---|---|
| Name | Succinic acid, heptyl 3-methoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.193673997 u |
| Formula | C19H28O5 |
| InChI | InChI=1S/C19H28O5/c1-3-4-5-6-7-13-23-18(20)11-12-19(21)24-15-16-9-8-10-17(14-16)22-2/h8-10,14H,3-7,11-13,15H2,1-2H3 |
| InChIKey | BHVDPZCNFBEORZ-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | C(CCC(OCC=1C=C(C=CC1)OC)=O)(OCCCCCCC)=O |