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Methyl 1-(3-methylbut-3-en-1-yl)cyclohexane-1-carboxylate
SpectraBase Compound ID IvbS3ewnvxp
InChI InChI=1S/C13H22O2/c1-11(2)7-10-13(12(14)15-3)8-5-4-6-9-13/h1,4-10H2,2-3H3
InChIKey XVBUPMJRUNUDAS-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 4vzKxHRQyPC
Name Methyl 1-(3-methylbut-3-en-1-yl)cyclohexane-1-carboxylate
Appearance Colorless liquid
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Exact Mass 210.161979946 u
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-11(2)7-10-13(12(14)15-3)8-5-4-6-9-13/h1,4-10H2,2-3H3
InChIKey XVBUPMJRUNUDAS-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010S
Ionization Type EI
Literature Reference DOI 10.1002/anie.201710895
Molecular Weight 210.317 g/mol
Quality 381
Reported Formula C13H22O2
SMILES C1CCCC(C1)(C(OC)=O)CCC(=C)C
SPLASH splash10-00kf-9600000000-8d077208fc7d69c185a1
Source of Spectrum ACI-57-SM61-41c (DOI: 10.1002/anie.201710895)
Wiley ID 1890860