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XL413
SpectraBase Compound ID GpnZDeSN7a7
InChI InChI=1S/C14H12ClN3O2.ClH/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9;/h3-4,6,9,16H,1-2,5H2,(H,17,18,19);1H/t9-;/m0./s1
InChIKey UNDKJUKLBNARIZ-FVGYRXGTSA-N
Mol Weight 326.18 g/mol
Molecular Formula C14H13Cl2N3O2
Exact Mass 325.038482 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 6hjX5FMHGI8
Name XL413
Source of Sample Cayman Chemical Company
Catalog Number 24906
Lot Number 0526598-1
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 2062200-97-7
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13Cl2N3O2
IUPAC Name 8-Chloro-2-(2S)-2-pyrrolidinylbenzofuro[3,2-d]pyrimidin-4(3H)-one, monohydrochloride
InChI InChI=1S/C14H12ClN3O2.ClH/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9;/h3-4,6,9,16H,1-2,5H2,(H,17,18,19);1H/t9-;/m0./s1
InChIKey UNDKJUKLBNARIZ-FVGYRXGTSA-N
Instrument Name Bio-Rad FTS
SMILES N1\C(=N/C(c2c1c1c(o2)ccc(c1)Cl)=O)[C@@]1(CCCN1)[H].Cl
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Technique ATR-Neat