| SpectraBase Compound ID | Hhv1Zs6PJqe |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-21-15-12-9-11-14(17(15)18(20)23-3)10-7-5-4-6-8-13-16(19)22-2/h9,11-12H,4-8,10,13H2,1-3H3 |
| InChIKey | VLBBQCCRAJAEGD-UHFFFAOYSA-N |
| Mol Weight | 322.4 g/mol |
| Molecular Formula | C18H26O5 |
| Exact Mass | 322.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1d2YXPNiEqK |
|---|---|
| Name | Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.178023932 u |
| Formula | C18H26O5 |
| InChI | InChI=1S/C18H26O5/c1-21-15-12-9-11-14(17(15)18(20)23-3)10-7-5-4-6-8-13-16(19)22-2/h9,11-12H,4-8,10,13H2,1-3H3 |
| InChIKey | VLBBQCCRAJAEGD-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C(CCCCCCC(OC)=O)C1=C(C(OC)=O)C(OC)=CC=C1 |