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1,3,5-tris(4-bromophenyl)-4,5-dihydro-1H-pyrazole

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1,3,5-tris(4-bromophenyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID BB6N68RFvdS
InChI InChI=1S/C21H15Br3N2/c22-16-5-1-14(2-6-16)20-13-21(15-3-7-17(23)8-4-15)26(25-20)19-11-9-18(24)10-12-19/h1-12,21H,13H2
InChIKey HTLHKBOBGSASCM-UHFFFAOYSA-N
Mol Weight 535.08 g/mol
Molecular Formula C21H15Br3N2
Exact Mass 531.878537 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CCCS7HmEqx6
Name 1,3,5-Tris(4-bromophenyl)-4,5-dihydro-1H-pyrazole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 531.878537491 u
Formula C21H15Br3N2
InChI InChI=1S/C21H15Br3N2/c22-16-5-1-14(2-6-16)20-13-21(15-3-7-17(23)8-4-15)26(25-20)19-11-9-18(24)10-12-19/h1-12,21H,13H2
InChIKey HTLHKBOBGSASCM-UHFFFAOYSA-N
Molecular Weight 535.077 g/mol
SMILES C=1C=C(C2N(N=C(C3=CC=C(C=C3)Br)C2)C2=CC=C(C=C2)Br)C=CC1Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92342