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9-(3-METHYL-5-PHENYLPYRAZOLYL)-9-BORABICYCLO-[3.3.1]-NONANE
SpectraBase Compound ID LegBu1APsYH
InChI InChI=1S/C18H23BN2/c1-14-13-18(15-7-3-2-4-8-15)21(20-14)19-16-9-5-10-17(19)12-6-11-16/h2-4,7-8,13,16-17H,5-6,9-12H2,1H3/t16-,17+
InChIKey DZKDRFVUZHOADH-CALCHBBNSA-N
Mol Weight 278.2 g/mol
Molecular Formula C18H23BN2
Exact Mass 278.195429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CcpsMTTr1Bb
Name 1-(9-Borabicyclo[3.3.1]non-9-yl)-3-methyl-5-phenyl-1H-pyrazole
CAS Registry Number 125995-69-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23BN2
InChI InChI=1S/C18H23BN2/c1-14-13-18(15-7-3-2-4-8-15)21(20-14)19-16-9-5-10-17(19)12-6-11-16/h2-4,7-8,13,16-17H,5-6,9-12H2,1H3/t16-,17+
InChIKey DZKDRFVUZHOADH-CALCHBBNSA-N
Molecular Weight 278.206 g/mol
SMILES c1([n](nc(c1)C)B1[C@]2(CCC[C@@]1(CCC2)[H])[H])-c1ccccc1
SPLASH splash10-004i-0190000000-88e5994117518d96513d
Source of Spectrum K-123-1280-6
Synonyms 1-(9-borabicyclo[3.3.1]nonan-9-yl)-3-methyl-5-phenyl-pyrazole 1H-Pyrazole, 1-(9-borabicyclo[3.3.1]non-9-yl)-3-methyl-5-phenyl-
Wiley ID 1292011