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Piperazine, 1-[4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl]-4-tricyclo[3.3.1.1(3,7)]dec-1-yl-
SpectraBase Compound ID 7IIA00gT6Xl
InChI InChI=1S/C25H31BrN4O/c26-23-15-27-30(17-23)16-18-1-3-22(4-2-18)24(31)28-5-7-29(8-6-28)25-12-19-9-20(13-25)11-21(10-19)14-25/h1-4,15,17,19-21H,5-14,16H2/t19-,20+,21-,25-
InChIKey LLDPGPXFFSDOGT-ZHVWDZEKSA-N
Mol Weight 483.45 g/mol
Molecular Formula C25H31BrN4O
Exact Mass 482.168125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdIw8Ex9P7F
Name Piperazine, 1-[4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl]-4-tricyclo[3.3.1.1(3,7)]dec-1-yl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31BrN4O
InChI InChI=1S/C25H31BrN4O/c26-23-15-27-30(17-23)16-18-1-3-22(4-2-18)24(31)28-5-7-29(8-6-28)25-12-19-9-20(13-25)11-21(10-19)14-25/h1-4,15,17,19-21H,5-14,16H2/t19-,20+,21-,25-
InChIKey LLDPGPXFFSDOGT-ZHVWDZEKSA-N
Molecular Weight 483.454 g/mol
SMILES C12(N3CCN(C(c4ccc(C[n]5ncc(c5)Br)cc4)=O)CC3)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H]
SPLASH splash10-000l-5910000000-d6f33a43d4224968d60d
Source of Spectrum IY-1-4668-0
Synonyms [4-(1-adamantyl)-1-piperazinyl]-[4-[(4-bromo-1-pyrazolyl)methyl]phenyl]methanone [4-(1-adamantyl)piperazin-1-yl]-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone [4-(1-adamantyl)piperazin-1-yl]-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]methanone
Wiley ID 1654663