| SpectraBase Compound ID | 2yoecxdztnp |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-5-16(13(2)3)22-18(20)12-8-11-17(19)21-14(4)15-9-6-7-10-15/h13-16H,5-12H2,1-4H3 |
| InChIKey | FQSAFYUOADMTLL-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 77ED2uq3f44 |
|---|---|
| Name | Glutaric acid, 1-cyclopentylethyl 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.230059506 u |
| Formula | C18H32O4 |
| InChI | InChI=1S/C18H32O4/c1-5-16(13(2)3)22-18(20)12-8-11-17(19)21-14(4)15-9-6-7-10-15/h13-16H,5-12H2,1-4H3 |
| InChIKey | FQSAFYUOADMTLL-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OC(C)C1CCCC1)=O |