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1-(Ethoxymethyl)-6-(.beta.-naphthalenethio)-thiamine
SpectraBase Compound ID 3VNGhK9aQt
InChI InChI=1S/C18H18N2O3S/c1-3-23-11-20-17(12(2)16(21)19-18(20)22)24-15-9-8-13-6-4-5-7-14(13)10-15/h4-10H,3,11H2,1-2H3,(H,19,21,22)
InChIKey BRJBHVQTBRILKP-UHFFFAOYSA-N
Mol Weight 342.41 g/mol
Molecular Formula C18H18N2O3S
Exact Mass 342.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4s7yeflrw8z
Name 1-(Ethoxymethyl)-6-(.beta.-naphthalenethio)-thiamine
Alternate Name(s) 1-(Ethoxymethyl)-5-methyl-6-(.beta.-naphthalene)-uracil 1-(ethoxymethyl)-5-methyl-6-(2-naphthalenylthio)pyrimidine-2,4-dione 1-(ethoxymethyl)-5-methyl-6-naphthalen-2-ylsulfanylpyrimidine-2,4-dione 1-(ethoxymethyl)-5-methyl-6-(2-naphthylsulfanyl)pyrimidine-2,4-dione 1-(ethoxymethyl)-5-methyl-6-naphthalen-2-ylsulfanyl-pyrimidine-2,4-dione
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Formula C18H18N2O3S
InChI InChI=1S/C18H18N2O3S/c1-3-23-11-20-17(12(2)16(21)19-18(20)22)24-15-9-8-13-6-4-5-7-14(13)10-15/h4-10H,3,11H2,1-2H3,(H,19,21,22)
InChIKey BRJBHVQTBRILKP-UHFFFAOYSA-N
Molecular Weight 342.413 g/mol
SMILES N1C(N(C(=C(C1=O)C)Sc1cc2ccccc2cc1)COCC)=O
SPLASH splash10-014i-0906000000-1183785f6bcf20466ccf
Source of Spectrum MZ-34-2233-2
Wiley ID 1582359