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1-(9-Borabicyclo[3.3.1]non-9-yl)-3,5-ditert-butyl-4-ethyl-1H-pyrazole
SpectraBase Compound ID 6E0D6Oo6Yh8
InChI InChI=1S/C21H37BN2/c1-8-17-18(20(2,3)4)23-24(19(17)21(5,6)7)22-15-11-9-12-16(22)14-10-13-15/h15-16H,8-14H2,1-7H3
InChIKey PUACCJQOJMTZRE-UHFFFAOYSA-N
Mol Weight 328.4 g/mol
Molecular Formula C21H37BN2
Exact Mass 328.304979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EH8KU6PvHk
Name 1-(9-Borabicyclo[3.3.1]non-9-yl)-3,5-ditert-butyl-4-ethyl-1H-pyrazole
CAS Registry Number 125281-23-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H37BN2
InChI InChI=1S/C21H37BN2/c1-8-17-18(20(2,3)4)23-24(19(17)21(5,6)7)22-15-11-9-12-16(22)14-10-13-15/h15-16H,8-14H2,1-7H3
InChIKey PUACCJQOJMTZRE-UHFFFAOYSA-N
Molecular Weight 328.351 g/mol
SMILES C1CC2CCCC(B2[n]2nc(C(C)(C)C)c(c2C(C)(C)C)CC)C1
SPLASH splash10-009t-0093000000-0a988bf86025c3f29084
Source of Spectrum K-123-1280-11
Synonyms 1-(9-borabicyclo[3.3.1]nonan-9-yl)-3,5-ditert-butyl-4-ethyl-pyrazole 1H-Pyrazole, 1-(9-borabicyclo[3.3.1]non-9-yl)-3,5-bis(1,1-dimethylethyl)-4-ethyl-
Wiley ID 1326716