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6-Tert-butyl-2-phenylcyclopenta[D]pyridazine

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

6-Tert-butyl-2-phenylcyclopenta[D]pyridazine
SpectraBase Compound ID JJRHJtz6hbE
InChI InChI=1S/C17H18N2/c1-17(2,3)15-9-13-11-18-19(12-14(13)10-15)16-7-5-4-6-8-16/h4-12H,1-3H3
InChIKey KJPOSYNVDGUVJG-UHFFFAOYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C17H18N2
Exact Mass 250.146999 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6ZxOXrsKUGD
Name 6-Tert-butyl-2-phenylcyclopenta[D]pyridazine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.146998588 u
Formula C17H18N2
InChI InChI=1S/C17H18N2/c1-17(2,3)15-9-13-11-18-19(12-14(13)10-15)16-7-5-4-6-8-16/h4-12H,1-3H3
InChIKey KJPOSYNVDGUVJG-UHFFFAOYSA-N
Molecular Weight 250.345 g/mol
SMILES C1=NN(C=C2C1=CC(=C2)C(C)(C)C)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.80726