SpectraBase Compound ID | 1soELzCoPvR |
---|---|
InChI | InChI=1S/C18H36O2/c1-4-7-9-10-11-12-13-15-17(14-6-3)20-18(19)16-8-5-2/h17H,4-16H2,1-3H3 |
InChIKey | DHCRVGOVFZQHDE-UHFFFAOYSA-N |
Mol Weight | 284.5 g/mol |
Molecular Formula | C18H36O2 |
Exact Mass | 284.27153 g/mol |
SpectraBase Spectrum ID | 32YZv8QozpP |
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Name | Valeric acid, 4-tridecyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 284.271530397 u |
Formula | C18H36O2 |
InChI | InChI=1S/C18H36O2/c1-4-7-9-10-11-12-13-15-17(14-6-3)20-18(19)16-8-5-2/h17H,4-16H2,1-3H3 |
InChIKey | DHCRVGOVFZQHDE-UHFFFAOYSA-N |
SMILES | C(CC(OC(CCCCCCCCC)CCC)=O)CC |