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6-(aminothio)-5-octylpyrimidin-2(1H)-one

View entire compound with spectra: 1 MS (GC)

6-(aminothio)-5-octylpyrimidin-2(1H)-one
SpectraBase Compound ID A0xIK8phBSp
InChI InChI=1S/C12H21N3OS/c1-2-3-4-5-6-7-8-10-9-14-12(16)15-11(10)17-13/h9H,2-8,13H2,1H3,(H,14,15,16)
InChIKey QSGMHLSXADVANT-UHFFFAOYSA-N
Mol Weight 255.38 g/mol
Molecular Formula C12H21N3OS
Exact Mass 255.140533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gP5DaUsUes
Name 6-(aminothio)-5-octylpyrimidin-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21N3OS
InChI InChI=1S/C12H21N3OS/c1-2-3-4-5-6-7-8-10-9-14-12(16)15-11(10)17-13/h9H,2-8,13H2,1H3,(H,14,15,16)
InChIKey QSGMHLSXADVANT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19973390129
Molecular Weight 255.380 g/mol
SMILES N1C(SN)=C(CCCCCCCC)C=NC1=O
SPLASH splash10-0pb9-2790000000-2ef120de9cd9267bb28a
Source of Spectrum JF-399-156-9i
Wiley ID 1768348