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1-Methyldodecyl hexanoate
SpectraBase Compound ID Ffj59K4IZny
InChI InChI=1S/C19H38O2/c1-4-6-8-9-10-11-12-13-15-16-18(3)21-19(20)17-14-7-5-2/h18H,4-17H2,1-3H3
InChIKey XFKFAJFBLJBMDX-UHFFFAOYSA-N
Mol Weight 298.5 g/mol
Molecular Formula C19H38O2
Exact Mass 298.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MLnYOImlyb
Name 1-Methyldodecyl hexanoate
Alternate Name(s) Hexanoic acid, 2-tridecyl ester Hexanoic acid tridecan-2-yl ester Tridecan-2-yl hexanoate
CAS Registry Number 55193-20-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H38O2
InChI InChI=1S/C19H38O2/c1-4-6-8-9-10-11-12-13-15-16-18(3)21-19(20)17-14-7-5-2/h18H,4-17H2,1-3H3
InChIKey XFKFAJFBLJBMDX-UHFFFAOYSA-N
Molecular Weight 298.511 g/mol
SMILES CCCCCCCCCCCC(OC(=O)CCCCC)C
SPLASH splash10-052g-9100000000-348bd73a7410d37c51c1
Source of Spectrum NP-10-75-0
Wiley ID 1108547