| SpectraBase Compound ID | LHOao8pfqQ6 |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-6-8-9-12-16(5)22-18(20)13-10-14-19(21)23-17(11-7-2)15(3)4/h15-17H,6-14H2,1-5H3 |
| InChIKey | YTUMWLHBPSAMLV-UHFFFAOYSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C19H36O4 |
| Exact Mass | 328.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | mzDQp2AW3J |
|---|---|
| Name | Glutaric acid, hept-2-yl 2-methylhex-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.261359635 u |
| Formula | C19H36O4 |
| InChI | InChI=1S/C19H36O4/c1-6-8-9-12-16(5)22-18(20)13-10-14-19(21)23-17(11-7-2)15(3)4/h15-17H,6-14H2,1-5H3 |
| InChIKey | YTUMWLHBPSAMLV-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC(C(C)C)CCC)=O |