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2-n-octadecylthioorotic acid

View entire compound with spectra: 1 MS (GC)

2-n-octadecylthioorotic acid
SpectraBase Compound ID I2XkoYfQEku
InChI InChI=1S/C23H40N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-23-24-20(22(27)28)19-21(26)25-23/h19H,2-18H2,1H3,(H,27,28)(H,24,25,26)
InChIKey ROXMHFDSHLTRSP-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C23H40N2O3S
Exact Mass 424.275964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lu0lc7oXzGy
Name 2-n-octadecylthioorotic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H40N2O3S
InChI InChI=1S/C23H40N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-23-24-20(22(27)28)19-21(26)25-23/h19H,2-18H2,1H3,(H,27,28)(H,24,25,26)
InChIKey ROXMHFDSHLTRSP-UHFFFAOYSA-N
Molecular Weight 424.644 g/mol
SMILES N1C(=NC(C(=O)O)=CC1=O)SCCCCCCCCCCCCCCCCCC
SPLASH splash10-00di-1902000000-089dab322de0fe2ab9a5
Source of Spectrum O-29-50-0
Synonyms 2-(octadecylsulfanyl)-6-oxo-1,6-dihydro-4-pyrimidinecarboxylic acid 2-Octadecylsulfanyl-6-oxo-1,6-dihydro-pyrimidine-4-carboxylic acid
Wiley ID 1379298