| SpectraBase Compound ID | J0Z9aw8aegf |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-4-5-8-12-21-17(19)15-9-6-7-10-16(15)18(20)22-13-11-14(2)3/h6-7,14-16H,4-5,8-13H2,1-3H3 |
| InChIKey | GADNAZPUYKALMC-UHFFFAOYSA-N |
| Mol Weight | 310.43 g/mol |
| Molecular Formula | C18H30O4 |
| Exact Mass | 310.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8prjMyDKq9p |
|---|---|
| Name | cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-methylbutyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.214409442 u |
| Formula | C18H30O4 |
| InChI | InChI=1S/C18H30O4/c1-4-5-8-12-21-17(19)15-9-6-7-10-16(15)18(20)22-13-11-14(2)3/h6-7,14-16H,4-5,8-13H2,1-3H3 |
| InChIKey | GADNAZPUYKALMC-UHFFFAOYSA-N |
| SMILES | C=1CC(C(CC1)C(OCCC(C)C)=O)C(=O)OCCCCC |