| SpectraBase Compound ID | AaracZCXSJX |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-5-14(13(2)3)22-17(19)11-8-12-18(20)23-16-10-7-6-9-15(16)21-4/h6-7,9-10,13-14H,5,8,11-12H2,1-4H3 |
| InChIKey | RIHNCGHVHTZEFU-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 | 4gDyFKvd1yy |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-yl 2-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/c1-5-14(13(2)3)22-17(19)11-8-12-18(20)23-16-10-7-6-9-15(16)21-4/h6-7,9-10,13-14H,5,8,11-12H2,1-4H3 |
| InChIKey | RIHNCGHVHTZEFU-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OC1=CC=CC=C1OC)=O |