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5-(Pyrimidin-5-yl)furan-2-carbaldehyde
SpectraBase Compound ID IcYUBIYG6Vw
InChI InChI=1S/C9H6N2O2/c12-5-8-1-2-9(13-8)7-3-10-6-11-4-7/h1-6H
InChIKey TWJSPIIJOLBLDQ-UHFFFAOYSA-N
Mol Weight 174.16 g/mol
Molecular Formula C9H6N2O2
Exact Mass 174.042927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DukMddLb6Q
Name 5-(Pyrimidin-5-yl)furan-2-carbaldehyde
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 174.042927439 u
Formula C9H6N2O2
InChI InChI=1S/C9H6N2O2/c12-5-8-1-2-9(13-8)7-3-10-6-11-4-7/h1-6H
InChIKey TWJSPIIJOLBLDQ-UHFFFAOYSA-N
Instrument Name HRMS
Ionization Type EI positive ion
Literature Reference DOI 10.1021/jo301836x
Molecular Weight 174.159 g/mol
Quality 169
Reported Formula C9H6N2O2
SMILES C=1(OC(=CC1)C=O)C1=CN=CN=C1
SPLASH splash10-00di-0900000000-675c770b2f6e21ebb251
Source of Spectrum JOC-78-SM49-2f (DOI: 10.1021/jo301836x)
Wiley ID 1912281