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I-191
SpectraBase Compound ID 1hXHqNPQavZ
InChI InChI=1S/C23H26FN5O2/c1-22(2,3)16-12-17(14-6-8-15(24)9-7-14)27-29-13-18(26-19(16)29)20(30)28-11-10-25-21(31)23(28,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,25,31)
InChIKey DTASTQAQBOZSRR-UHFFFAOYSA-N
Mol Weight 423.49 g/mol
Molecular Formula C23H26FN5O2
Exact Mass 423.207053 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EwvuwQIxLuh
Name I-191
Source of Sample Cayman Chemical Company
Catalog Number 37553
Lot Number 0687444-1
Apodization Filter Function Happ-Genzel
CAS Registry Number 1690172-25-8
Copyright Copyright © 2015-2025 John Wiley & Sons, Inc. All Rights Reserved.
Detector NICOLET 000-877502 InGaAs
Exact Mass 423.207053258 u
Formula C23H26FN5O2
InChI InChI=1S/C23H26FN5O2/c1-22(2,3)16-12-17(14-6-8-15(24)9-7-14)27-29-13-18(26-19(16)29)20(30)28-11-10-25-21(31)23(28,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,25,31)
InChIKey DTASTQAQBOZSRR-UHFFFAOYSA-N
Instrument Name Thermo Nicolet 960 ESP
Laser Power 1.3 W
Raman Corrections Referenced to internal white light source: 180 Degree backscatter
Raman Laser Frequency 9393.64 cm⁻¹
Raman Laser Source Nd:YAG
Raman Technique neat on post
SMILES N1CCN(C(C1=O)(C)C)C(C=1N=C2C(=CC(C=3C=CC(=CC3)F)=NN2C1)C(C)(C)C)=O
Scans Performed 1536
Source of Spectrum Forensic Spectral Research
Synonyms 4-[[8-(1,1-dimethylethyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]carbonyl]-3,3-dimethyl-2-piperazinone
Technique FT-Raman