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2-n-hexadecylthioorotic acid hydrobromide
SpectraBase Compound ID AjiEUAv6JK6
InChI InChI=1S/C21H36N2O3S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-19(24)17-18(20(25)26)22-21(23)27;/h17H,2-16H2,1H3,(H,22,27)(H,25,26);1H
InChIKey IGALHMADAPXCFO-UHFFFAOYSA-N
Mol Weight 477.5 g/mol
Molecular Formula C21H37BrN2O3S
Exact Mass 476.170827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EVrMh3eyta
Name 2-n-hexadecylthioorotic acid hydrobromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H37BrN2O3S
InChI InChI=1S/C21H36N2O3S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-19(24)17-18(20(25)26)22-21(23)27;/h17H,2-16H2,1H3,(H,22,27)(H,25,26);1H
InChIKey IGALHMADAPXCFO-UHFFFAOYSA-N
Molecular Weight 477.502 g/mol
SMILES Br.N1C(C(=O)O)=CC(N(C1=S)CCCCCCCCCCCCCCCC)=O
SPLASH splash10-00kb-0009000000-b7750be9edfe71770357
Source of Spectrum O-29-50-0
Synonyms 1-Hexadecyl-6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrobromide
Wiley ID 1394228