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3-(1-adamantyl)-1-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde
SpectraBase Compound ID 6M08K91GeEG
InChI InChI=1S/C20H21BrN2O/c21-17-2-1-3-18(7-17)23-11-16(12-24)19(22-23)20-8-13-4-14(9-20)6-15(5-13)10-20/h1-3,7,11-15H,4-6,8-10H2/t13-,14+,15-,20-
InChIKey VXCIEJRDQFFHPB-PVGDPBLGSA-N
Mol Weight 385.31 g/mol
Molecular Formula C20H21BrN2O
Exact Mass 384.083726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Czt2HVUvy8Z
Name 3-(1-Adamantyl)-1-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21BrN2O
InChI InChI=1S/C20H21BrN2O/c21-17-2-1-3-18(7-17)23-11-16(12-24)19(22-23)20-8-13-4-14(9-20)6-15(5-13)10-20/h1-3,7,11-15H,4-6,8-10H2/t13-,14+,15-,20-
InChIKey VXCIEJRDQFFHPB-PVGDPBLGSA-N
Molecular Weight 385.305 g/mol
SMILES c1ccc(-[n]2nc(c(C=O)c2)C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])cc1Br
SPLASH splash10-0a7u-9857000000-e909163b2bb52092d0a8
Synonyms 3-(1-adamantyl)-1-(3-bromophenyl)-4-pyrazolecarboxaldehyde 3-(1-adamantyl)-1-(3-bromophenyl)pyrazole-4-carbaldehyde 3-Adamantan-1-yl-1-(3-bromo-phenyl)-1H-pyrazole-4-carbaldehyde
Wiley ID 1451251