| SpectraBase Compound ID | KvUlCILQ0Fq |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-14(2)6-5-13-22-17(19)7-4-8-18(20)23-16-11-9-15(21-3)10-12-16/h9-12,14H,4-8,13H2,1-3H3 |
| InChIKey | LOGUKZWOZCGVGA-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 | JMP6eA1WTN9 |
|---|---|
| Name | Glutaric acid, isohexyl 4-methoxyphenyl 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/c1-14(2)6-5-13-22-17(19)7-4-8-18(20)23-16-11-9-15(21-3)10-12-16/h9-12,14H,4-8,13H2,1-3H3 |
| InChIKey | LOGUKZWOZCGVGA-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | CC(C)CCCOC(CCCC(OC1=CC=C(C=C1)OC)=O)=O |