| SpectraBase Compound ID | 4krTYIDbo7a |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-4-5-6-10-16(3)23-19(21)13-12-18(20)22-14-17-11-8-7-9-15(17)2/h16H,4-14H2,1-3H3 |
| InChIKey | SCAYWPZKXOXFEK-UHFFFAOYSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C19H32O4 |
| Exact Mass | 324.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 27B23HQ2YyK |
|---|---|
| Name | Succinic acid, hept-2-yl (2-methylcyclohex-1-en-1-yl)methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.230059506 u |
| Formula | C19H32O4 |
| InChI | InChI=1S/C19H32O4/c1-4-5-6-10-16(3)23-19(21)13-12-18(20)22-14-17-11-8-7-9-15(17)2/h16H,4-14H2,1-3H3 |
| InChIKey | SCAYWPZKXOXFEK-UHFFFAOYSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OCC1=C(C)CCCC1)=O |