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1-Methyloctyl hexanoate
SpectraBase Compound ID 3Yj2RHYfMDw
InChI InChI=1S/C15H30O2/c1-4-6-8-9-11-12-14(3)17-15(16)13-10-7-5-2/h14H,4-13H2,1-3H3
InChIKey MLYSJKAWIRSEQZ-UHFFFAOYSA-N
Mol Weight 242.4 g/mol
Molecular Formula C15H30O2
Exact Mass 242.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2tYGFQs9ia
Name 1-Methyloctyl hexanoate
Alternate Name(s) 2-Nonyl hexanoate Hexanoic acid nonan-2-yl ester nonan-2-yl hexanoate
CAS Registry Number 55193-16-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H30O2
InChI InChI=1S/C15H30O2/c1-4-6-8-9-11-12-14(3)17-15(16)13-10-7-5-2/h14H,4-13H2,1-3H3
InChIKey MLYSJKAWIRSEQZ-UHFFFAOYSA-N
Molecular Weight 242.403 g/mol
SMILES C(=O)(OC(CCCCCCC)C)CCCCC
SPLASH splash10-052f-9000000000-862901a09d70c9c03f6b
Source of Spectrum XW-232-0-0
Wiley ID 1245454