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DECANOIC ACID, ISOPENTYL ESTER
SpectraBase Compound ID 5Wjq4W4K2qL
InChI InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3
InChIKey XDOGFYDZGUDBQY-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 H3toLMRIrvk
Name 3-Methylbutyl decanoate
Alternate Name(s) capric acid isoamyl ester Isopentyl decanoate decanoic acid 3-methylbutyl ester iso-Amyl n-decanoate Pentadecanoic acid, 3-methylbutyl ester EINECS 218-982-6
CAS Registry Number 2306-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H30O2
InChI InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3
InChIKey XDOGFYDZGUDBQY-UHFFFAOYSA-N
Molecular Weight 242.403 g/mol
SMILES C(=O)(OCCC(C)C)CCCCCCCCC
SPLASH splash10-00di-9200000000-42443341fb196f1a2a4b
Source of Spectrum LQ-1992-961-0
Wiley ID 1245446