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RECTAS
SpectraBase Compound ID DdPdoqXek4Y
InChI InChI=1S/C10H8ClN5O/c11-10-15-8(7-9(16-10)14-5-13-7)12-4-6-2-1-3-17-6/h1-3,5H,4H2,(H2,12,13,14,15,16)
InChIKey QGUOPVCOXHVPJX-UHFFFAOYSA-N
Mol Weight 249.66 g/mol
Molecular Formula C10H8ClN5O
Exact Mass 249.041738 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9l2zfCQJtBA
Name RECTAS
Source of Sample Cayman Chemical Company
Catalog Number 38322
Lot Number 0689995-1
Apodization Filter Function Happ-Genzel
CAS Registry Number 101862-47-9
Copyright Copyright © 2015-2025 John Wiley & Sons, Inc. All Rights Reserved.
Detector NICOLET 000-877502 InGaAs
Exact Mass 249.041737597 u
Formula C10H8ClN5O
InChI InChI=1S/C10H8ClN5O/c11-10-15-8(7-9(16-10)14-5-13-7)12-4-6-2-1-3-17-6/h1-3,5H,4H2,(H2,12,13,14,15,16)
InChIKey QGUOPVCOXHVPJX-UHFFFAOYSA-N
Instrument Name Thermo Nicolet 960 ESP
Laser Power 1.2 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 N(CC1=CC=CO1)C1=C2C(=NC(=N1)Cl)N=CN2
Scans Performed 1344
Source of Spectrum Forensic Spectral Research
Synonyms 2-chloro-N-(2-furanylmethyl)-9H-purin-6-amine
Technique FT-Raman