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Zaprinast
SpectraBase Compound ID Ei9nIiQUxJ
InChI InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)
InChIKey REZGGXNDEMKIQB-UHFFFAOYSA-N
Mol Weight 271.28 g/mol
Molecular Formula C13H13N5O2
Exact Mass 271.106925 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID G3p4lsboyTL
Name Zaprinast
Source of Sample Cayman Chemical Company
Catalog Number 10010421
Lot Number 0470780-8
CAS Registry Number 37762-06-4
Cell Type Capillary tube
Compound Type Pure
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N5O2
IUPAC Name 3,6-Dihydro-5-(2-propoxyphenyl)-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
InChI InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)
InChIKey REZGGXNDEMKIQB-UHFFFAOYSA-N
Molecular Weight 271.280 g/mol
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Power 550 mW
Raman Laser Source Nd:YAG
SMILES N1C(c2c(\N=C/1c1ccccc1OCCC)[nH]nn2)=O
Scans Performed 3840
Source of Spectrum Forensic Spectral Research
Synonyms 2-(o-Propoxyphenyl)-8-azapurin-6-one; M&B 22,948
Technique FT-Raman