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Octyl octanoate
SpectraBase Compound ID 28TgupfhrU6
InChI InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3
InChIKey DJNTZVRUYMHBTD-UHFFFAOYSA-N
Mol Weight 256.4 g/mol
Molecular Formula C16H32O2
Exact Mass 256.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EpyPJhYTV2z
Name Octyl octanoate
Alternate Name(s) caprylic acid octyl ester n-Octyl caprylate Octanoic acid, octyl ester Octyl caprylate Octyl octylate AI3-31017 EINECS 218-980-5 FEMA NO. 2811 NSC 23957
CAS Registry Number 2306-88-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H32O2
InChI InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3
InChIKey DJNTZVRUYMHBTD-UHFFFAOYSA-N
Molecular Weight 256.430 g/mol
SMILES CCCCCCCCOC(=O)CCCCCCC
SPLASH splash10-0btd-7900000000-0f2058df55f1ee0194f3
Source of Spectrum IC-713-0-0
Wiley ID 1260212