| SpectraBase Compound ID | E8K2Qoxr8ss |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-4-5-6-8-16(3)22-18(20)9-7-10-19(21)23-17-13-11-15(2)12-14-17/h15-17H,4-14H2,1-3H3 |
| InChIKey | INFDNUITSNXLSG-UHFFFAOYSA-N |
| Mol Weight | 326.5 g/mol |
| Molecular Formula | C19H34O4 |
| Exact Mass | 326.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5MKmUzAVQ4Y |
|---|---|
| Name | Glutaric acid, hept-2-yl 4-methylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.245709571 u |
| Formula | C19H34O4 |
| InChI | InChI=1S/C19H34O4/c1-4-5-6-8-16(3)22-18(20)9-7-10-19(21)23-17-13-11-15(2)12-14-17/h15-17H,4-14H2,1-3H3 |
| InChIKey | INFDNUITSNXLSG-UHFFFAOYSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC1CCC(CC1)C)=O |