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4-Heptyl tiglate
SpectraBase Compound ID EBwMHgvmfQH
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-JXMROGBWSA-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 JAMNVhGveSo
Name 4-Heptyl tiglate
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-JXMROGBWSA-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 splash10-053r-9100000000-dc585ece1f4096bfbfe4
Source of Spectrum 10.1002/ffj.1968
Wiley ID 1859187