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Icilin
SpectraBase Compound ID F9rHt78ezsA
InChI InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21)
InChIKey RCEFMOGVOYEGJN-UHFFFAOYSA-N
Mol Weight 311.3 g/mol
Molecular Formula C16H13N3O4
Exact Mass 311.090606 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID IuivYKuuXv4
Name Icilin
Source of Sample Cayman Chemical Company
Catalog Number 10137
Lot Number 193001-78
Accessory DurasamplIR II
Apodization Function Triangular
CAS Registry Number 36945-98-9
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O4
IUPAC Name 3,6-dihydro-1-(2-hydroxyphenyl)-4-(3-nitrophenyl)-2(1H)-pyrimidinone
InChI InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21)
InChIKey RCEFMOGVOYEGJN-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES N1C(N(c2c(cccc2)O)C\C=C/1c1cc(ccc1)N(=O)=O)=O
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms AG 3-5
Technique ATR-Neat