| SpectraBase Compound ID | DggWr5F9eMF |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-4-11-22-17(19)15-5-7-16(8-6-15)18(20)23-13-10-14(2)9-12-21-3/h5-8,14H,4,9-13H2,1-3H3 |
| InChIKey | AKNGJEHWJMVTNJ-UHFFFAOYSA-N |
| Mol Weight | 322.4 g/mol |
| Molecular Formula | C18H26O5 |
| Exact Mass | 322.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5e2XyfWuLow |
|---|---|
| Name | Terephthalic acid, 3-methyl-5-methoxypentyl propyl 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/c1-4-11-22-17(19)15-5-7-16(8-6-15)18(20)23-13-10-14(2)9-12-21-3/h5-8,14H,4,9-13H2,1-3H3 |
| InChIKey | AKNGJEHWJMVTNJ-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C(OC(C1=CC=C(C=C1)C(OCCC)=O)=O)CC(CCOC)C |