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5-Methylhept-6-en-2-yl pent-4-enoate
SpectraBase Compound ID Gbee0gdzeN5
InChI InChI=1S/C13H22O2/c1-5-7-8-13(14)15-12(4)10-9-11(3)6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKey RQWQXQAPOUWQCQ-UHFFFAOYSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5thfXO6LiY2
Name 5-Methylhept-6-en-2-yl pent-4-enoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-5-7-8-13(14)15-12(4)10-9-11(3)6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKey RQWQXQAPOUWQCQ-UHFFFAOYSA-N
Instrument Name HP 6890 GC-5973 MSD/Agilent Technologies GC 7890A-5975C MSD
Ionization Type EI
Literature Reference DOI 10.1021/np400131q
Molecular Weight 210.317 g/mol
SMILES C(C(OC(CCC(C=C)C)C)=O)CC=C
SPLASH splash10-0apj-9100000000-6ec1bbc637a56383990a
Source of Spectrum G4-76-SM10-18
Thin-Layer Chromatography Rf = 0.45 (pentane/tert-butyl methyl ether, 40:1)
Wiley ID 1865725