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Neopterin
SpectraBase Compound ID 93vy1ftjPng
InChI InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1
InChIKey BMQYVXCPAOLZOK-XINAWCOVSA-N
Mol Weight 253.22 g/mol
Molecular Formula C9H11N5O4
Exact Mass 253.081104 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LpXt4bDFbXS
Name Neopterin
Source of Sample Cayman Chemical Company
Catalog Number 12057
Lot Number 0453987-12
Apodization Function Norton-Beer, medium
CAS Registry Number 2009-64-5
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11N5O4
IUPAC Name 2-Amino-6-[1S,2R,3-trihydroxypropyl]-4(3H)-pteridinone
InChI InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1
InChIKey BMQYVXCPAOLZOK-XINAWCOVSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 253.218 g/mol
SMILES N1\C=C\([C@@]([C@@](CO)(O)[H])(O)[H])\N=C\2C(=O)\N=C/(\N=C\12)N
Source of Spectrum Forensic Spectral Research
Technique KBr0