Debug Info

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_id
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KUFvOuHlkdw
spectrumID
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KUFvOuHlkdw
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Mass Spectrum (GC)
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4-keto-6-(4-methoxyphenyl)-2-propoxy-1H-pyrimidine-5-carbonitrile
SpectraBase Compound ID 2SXaXxbmkxR
InChI InChI=1S/C15H15N3O3/c1-3-8-21-15-17-13(12(9-16)14(19)18-15)10-4-6-11(20-2)7-5-10/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKey RKBCWVGJVTUVGF-UHFFFAOYSA-N
Mol Weight 285.3 g/mol
Molecular Formula C15H15N3O3
Exact Mass 285.111341 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUFvOuHlkdw
Name 4-keto-6-(4-methoxyphenyl)-2-propoxy-1H-pyrimidine-5-carbonitrile
CAS Registry Number 81960-74-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15N3O3
InChI InChI=1S/C15H15N3O3/c1-3-8-21-15-17-13(12(9-16)14(19)18-15)10-4-6-11(20-2)7-5-10/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKey RKBCWVGJVTUVGF-UHFFFAOYSA-N
Molecular Weight 285.303 g/mol
SMILES N1C(=NC(=C(C1=O)C#N)c1ccc(cc1)OC)OCCC
SPLASH splash10-000f-0090000000-dbc1fecf161757efb502
Source of Spectrum Y-19-179-0
Synonyms 6-(4-methoxyphenyl)-4-oxidanylidene-2-propoxy-1H-pyrimidine-5-carbonitrile 6-(4-methoxyphenyl)-4-oxo-2-propoxy-1H-pyrimidine-5-carbonitrile
Wiley ID 1288873
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