SpectraBase Compound ID | DgSmhjY9c2y |
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InChI | InChI=1S/C18H32O4/c1-4-12-16(3)22-18(20)14-11-9-7-6-8-10-13-17(19)21-15-5-2/h4,16H,1,5-15H2,2-3H3 |
InChIKey | WXVKPWRLTMJSAN-UHFFFAOYSA-N |
Mol Weight | 312.5 g/mol |
Molecular Formula | C18H32O4 |
Exact Mass | 312.23006 g/mol |
SpectraBase Spectrum ID | 2M3y7s37pHF |
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Name | Sebacic acid, pent-4-en-2-yl propyl 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/c1-4-12-16(3)22-18(20)14-11-9-7-6-8-10-13-17(19)21-15-5-2/h4,16H,1,5-15H2,2-3H3 |
InChIKey | WXVKPWRLTMJSAN-UHFFFAOYSA-N |
Molecular Weight | 312.450 g/mol |
SMILES | C(CCCCC(OC(C)CC=C)=O)CCCC(OCCC)=O |