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5-Methylhex-1-en-3-yl methyl carbonate
SpectraBase Compound ID DUyHb65wgXy
InChI InChI=1S/C9H16O3/c1-5-8(6-7(2)3)12-9(10)11-4/h5,7-8H,1,6H2,2-4H3
InChIKey QJKYFZOPUCJOMY-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKnq2WUgR7n
Name 5-Methylhex-1-en-3-yl methyl carbonate
Appearance Yellow oil
Carrier Gas Hydrogen
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Exact Mass 172.109944372 u
Formula C9H16O3
GC Oven Program Oven temp 300oC
InChI InChI=1S/C9H16O3/c1-5-8(6-7(2)3)12-9(10)11-4/h5,7-8H,1,6H2,2-4H3
InChIKey QJKYFZOPUCJOMY-UHFFFAOYSA-N
Instrument Name Agilent HP6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200188
Molecular Weight 172.224 g/mol
Quality 115
SMILES C(C(OC(OC)=O)C=C)C(C)C
SPLASH splash10-0536-9000000000-ec7417dd70632a4e55ef
Source of Spectrum K1-2022-SM66-rac-9a (DOI: 10.1002/ejoc.202200188)
Thin-Layer Chromatography 0.45 (SiO2, CyHex/EtOAc, 10:1)
Wiley ID 1898515