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6-(3-Butenyl)-1-methoxy-6-(methoxycarbonyl)-1,4-cyclohexadiene
SpectraBase Compound ID 4zN18exY1e4
InChI InChI=1S/C13H18O3/c1-4-5-9-13(12(14)16-3)10-7-6-8-11(13)15-2/h4,7-8,10H,1,5-6,9H2,2-3H3
InChIKey OELULCWSOGUJDB-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tAH4C48JLQ
Name 6-(3-Butenyl)-1-methoxy-6-(methoxycarbonyl)-1,4-cyclohexadiene
CAS Registry Number 91029-50-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-4-5-9-13(12(14)16-3)10-7-6-8-11(13)15-2/h4,7-8,10H,1,5-6,9H2,2-3H3
InChIKey OELULCWSOGUJDB-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C1(C(=O)OC)(C(=CCC=C1)OC)CCC=C
SPLASH splash10-00di-2900000000-8d4f89e6a232280c3d1a
Source of Spectrum J-50-3088-1
Synonyms Methyl 1-(3-butenyl)-2-methoxy-2,5-cyclohexadiene-1-carboxylate
Wiley ID 1222604