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1-Propylthymine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-Propylthymine
SpectraBase Compound ID 8alxTSW116K
InChI InChI=1S/C8H12N2O2/c1-3-4-10-5-6(2)7(11)9-8(10)12/h5H,3-4H2,1-2H3,(H,9,11,12)
InChIKey NIZKHFVKEVLTSD-UHFFFAOYSA-N
Mol Weight 168.2 g/mol
Molecular Formula C8H12N2O2
Exact Mass 168.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8HMDIEG6Kh
Name 1-Propylthymine
Alternate Name(s) 5-Methyl-1-propyl-pyrimidine-2,4-dione 5-Methyl-1-propyl-pyrimidine-2,4-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2O2
InChI InChI=1S/C8H12N2O2/c1-3-4-10-5-6(2)7(11)9-8(10)12/h5H,3-4H2,1-2H3,(H,9,11,12)
InChIKey NIZKHFVKEVLTSD-UHFFFAOYSA-N
Molecular Weight 168.196 g/mol
SMILES N1C(C(=CN(C1=O)CCC)C)=O
SPLASH splash10-00mk-8900000000-e164795808901001c3f0
Source of Spectrum KC-57-6547-15
Wiley ID 1625253