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4-Heptyl angelate
SpectraBase Compound ID 5SvEFDhRRhj
InChI InChI=1S/C12H22O2/c1-5-8-11(9-6-2)14-12(13)10(4)7-3/h7,11H,5-6,8-9H2,1-4H3/b10-7-
InChIKey NAFCAVLYIMSZCQ-YFHOEESVSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7fObBJJtVVG
Name 4-Heptyl angelate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-5-8-11(9-6-2)14-12(13)10(4)7-3/h7,11H,5-6,8-9H2,1-4H3/b10-7-
InChIKey NAFCAVLYIMSZCQ-YFHOEESVSA-N
Instrument Name HP 5890-5971
Ionization Type EI
Literature Reference DOI 10.1002/ffj.1968
Molecular Weight 198.306 g/mol
SMILES C(CC(OC(\C(=C/C)C)=O)CCC)C
SPLASH splash10-0pc0-9300000000-b546cb29694e2faddaf3
Source of Spectrum 10.1002/ffj.1968
Wiley ID 1859186