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Octadecanoic acid, 12-hexyl-, methyl ester
SpectraBase Compound ID IQ21glt0Yq1
InChI InChI=1S/C25H50O2/c1-4-6-8-16-20-24(21-17-9-7-5-2)22-18-14-12-10-11-13-15-19-23-25(26)27-3/h24H,4-23H2,1-3H3
InChIKey IIHYUSLGJZWXAW-UHFFFAOYSA-N
Mol Weight 382.7 g/mol
Molecular Formula C25H50O2
Exact Mass 382.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63Q5xElcATZ
Name Octadecanoic acid, 12-hexyl-, methyl ester
Alternate Name(s) Methyl 12-hexyloctadecanoate 12-hexyloctadecanoic acid methyl ester Methyl 12-n-hexyl-octadecanoate 12-hexylstearic acid methyl ester
CAS Registry Number 55334-68-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H50O2
InChI InChI=1S/C25H50O2/c1-4-6-8-16-20-24(21-17-9-7-5-2)22-18-14-12-10-11-13-15-19-23-25(26)27-3/h24H,4-23H2,1-3H3
InChIKey IIHYUSLGJZWXAW-UHFFFAOYSA-N
Molecular Weight 382.673 g/mol
SMILES C(CCCCCCCCCCC(CCCCCC)CCCCCC)(=O)OC
SPLASH splash10-052f-9000000000-d849b8af513ed0dc450f
Source of Spectrum JX-2015-6-1502
Wiley ID 1728062