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Methyl 9-octylheptadecanoate
SpectraBase Compound ID DxBVuCwQly6
InChI InChI=1S/C26H52O2/c1-4-6-8-10-13-17-21-25(22-18-14-11-9-7-5-2)23-19-15-12-16-20-24-26(27)28-3/h25H,4-24H2,1-3H3
InChIKey WNWLYGMXRWZYHM-UHFFFAOYSA-N
Mol Weight 396.7 g/mol
Molecular Formula C26H52O2
Exact Mass 396.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fHwkSSYXmx
Name Methyl 9-octylheptadecanoate
Alternate Name(s) 9-Octylheptadecanoic acid methyl ester Methyl 9-n-octyl-heptadecanoate
CAS Registry Number 55373-88-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H52O2
InChI InChI=1S/C26H52O2/c1-4-6-8-10-13-17-21-25(22-18-14-11-9-7-5-2)23-19-15-12-16-20-24-26(27)28-3/h25H,4-24H2,1-3H3
InChIKey WNWLYGMXRWZYHM-UHFFFAOYSA-N
Molecular Weight 396.700 g/mol
SMILES C(C(CCCCCCCC)CCCCCCCC)CCCCCCC(OC)=O
SPLASH splash10-0ac1-9442000000-93815c190fcca45d227d
Source of Spectrum AD-0-1897-0
Wiley ID 56798