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Ethyl 4-(2-(2-methylallyl)cyclobut-1-en-1-yl)benzoate
SpectraBase Compound ID 4C9SYHaKtxO
InChI InChI=1S/C17H20O2/c1-4-19-17(18)14-7-5-13(6-8-14)16-10-9-15(16)11-12(2)3/h5-8H,2,4,9-11H2,1,3H3
InChIKey JGVITESZQRECHY-UHFFFAOYSA-N
Mol Weight 256.34 g/mol
Molecular Formula C17H20O2
Exact Mass 256.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLaMJo7mU7A
Name Ethyl 4-(2-(2-methylallyl)cyclobut-1-en-1-yl)benzoate
Appearance Pale yellow oil
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Formula C17H20O2
InChI InChI=1S/C17H20O2/c1-4-19-17(18)14-7-5-13(6-8-14)16-10-9-15(16)11-12(2)3/h5-8H,2,4,9-11H2,1,3H3
InChIKey JGVITESZQRECHY-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201604585
Molecular Weight 256.345 g/mol
Quality 80
Reported Formula C17H20O2
SMILES C(C)OC(C1=CC=C(C=C1)C1=C(CC1)CC(=C)C)=O
SPLASH splash10-001i-0910000000-6ff8ec4af84f48e8b8ee
Source of Spectrum QE-23-SM40-21g (DOI: 10.1002/chem.201604585)
Thin-Layer Chromatography 0.6 (hexane/EtOAc, 9:1, UV, KMnO4, PAA)
Wiley ID 1903894