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4-Butyl-3-isopropenyl-3-methyl-1-phenyl-2H-borole
SpectraBase Compound ID dYPiy5Xlh6
InChI InChI=1S/C18H25B/c1-5-6-10-16-13-19(14-18(16,4)15(2)3)17-11-8-7-9-12-17/h7-9,11-13H,2,5-6,10,14H2,1,3-4H3
InChIKey HMQSIMQABSKQMA-UHFFFAOYSA-N
Mol Weight 252.2 g/mol
Molecular Formula C18H25B
Exact Mass 252.204931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNQzfXR4QJq
Name 4-Butyl-3-isopropenyl-3-methyl-1-phenyl-2H-borole
CAS Registry Number 126754-96-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25B
InChI InChI=1S/C18H25B/c1-5-6-10-16-13-19(14-18(16,4)15(2)3)17-11-8-7-9-12-17/h7-9,11-13H,2,5-6,10,14H2,1,3-4H3
InChIKey HMQSIMQABSKQMA-UHFFFAOYSA-N
Molecular Weight 252.208 g/mol
SMILES C=1B(CC(C1CCCC)(C(=C)C)C)c1ccccc1
SPLASH splash10-0kg2-0290000000-1ae53d3a110ec17c968d
Source of Spectrum K-123-1627-2
Synonyms 4-Butyl-3-methyl-1-phenyl-3-prop-1-en-2-yl-2H-borole 4-Butyl-3-methyl-3-(1-methylethenyl)-1-phenyl-2H-borole
Wiley ID 1256404