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6,8-ditert-butyl-5-(cyclobuten-1-yl)-2H-chromene
SpectraBase Compound ID 1SwWmpH1pJs
InChI InChI=1S/C21H28O/c1-20(2,3)16-13-17(21(4,5)6)19-15(11-8-12-22-19)18(16)14-9-7-10-14/h8-9,11,13H,7,10,12H2,1-6H3
InChIKey VEBJBKDBQOSRRL-UHFFFAOYSA-N
Mol Weight 296.45 g/mol
Molecular Formula C21H28O
Exact Mass 296.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uLQkrD9VFq
Name 6,8-ditert-butyl-5-(cyclobuten-1-yl)-2H-chromene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.214015521 u
Formula C21H28O
InChI InChI=1S/C21H28O/c1-20(2,3)16-13-17(21(4,5)6)19-15(11-8-12-22-19)18(16)14-9-7-10-14/h8-9,11,13H,7,10,12H2,1-6H3
InChIKey VEBJBKDBQOSRRL-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201700600
Quality 13
Reported Formula C21H28O
SMILES C1(=C(C2=C(C(=C1)C(C)(C)C)OCC=C2)C1=CCC1)C(C)(C)C
SPLASH splash10-0a4i-9000000000-3f979a5a82ec557199d2
Source of Spectrum QE-23-SM80-8 (DOI: 10.1002/chem.201700600)
Wiley ID 1905526