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1,5-ditert-butyl-3-(2-methylprop-1-enyl)-2-prop-2-ynoxy-benzene
SpectraBase Compound ID GbBdudJrp9W
InChI InChI=1S/C21H30O/c1-10-11-22-19-16(12-15(2)3)13-17(20(4,5)6)14-18(19)21(7,8)9/h1,12-14H,11H2,2-9H3
InChIKey DNQCDJAPLUNQBR-UHFFFAOYSA-N
Mol Weight 298.47 g/mol
Molecular Formula C21H30O
Exact Mass 298.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FvdI48EinK
Name 1,5-ditert-butyl-3-(2-methylprop-1-enyl)-2-prop-2-ynoxy-benzene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O
InChI InChI=1S/C21H30O/c1-10-11-22-19-16(12-15(2)3)13-17(20(4,5)6)14-18(19)21(7,8)9/h1,12-14H,11H2,2-9H3
InChIKey DNQCDJAPLUNQBR-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201700600
Quality 13
Reported Formula C21H30O
SMILES C1(=CC(=C(C(=C1)C(C)(C)C)OCC#C)C=C(C)C)C(C)(C)C
SPLASH splash10-0a4i-9000000000-3f979a5a82ec557199d2
Source of Spectrum QE-23-SM24-5a (DOI: 10.1002/chem.201700600)
Wiley ID 1905520