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2-n-octadecylthioorotic acid hydrobromide
SpectraBase Compound ID KKWkn6yLsaW
InChI InChI=1S/C23H40N2O3S.BrH/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);1H
InChIKey VQCRTKOUVANQSR-UHFFFAOYSA-N
Mol Weight 505.6 g/mol
Molecular Formula C23H41BrN2O3S
Exact Mass 504.202127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ufFMJ9Gdbp
Name 2-n-octadecylthioorotic acid hydrobromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H41BrN2O3S
InChI InChI=1S/C23H40N2O3S.BrH/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);1H
InChIKey VQCRTKOUVANQSR-UHFFFAOYSA-N
Molecular Weight 505.556 g/mol
SMILES [Br-].[NH+]1=C(NC(C=C1C(=O)O)=O)SCCCCCCCCCCCCCCCCCC
SPLASH splash10-002b-0009000000-f690fee0058d2a97c9f0
Source of Spectrum O-29-50-0
Synonyms 1-Octadecyl-6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrobromide
Wiley ID 1399468