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1-[(Benzyloxy)methyl]-4-hydroxymethyl-5-thiomethylimidazole
SpectraBase Compound ID IkeAJn2azxv
InChI InChI=1S/C13H16N2O2S/c1-18-13-12(7-16)14-9-15(13)10-17-8-11-5-3-2-4-6-11/h2-6,9,16H,7-8,10H2,1H3
InChIKey DWAAVXHYHZCRII-UHFFFAOYSA-N
Mol Weight 264.34 g/mol
Molecular Formula C13H16N2O2S
Exact Mass 264.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10OFmzIsLDd
Name 1-[(Benzyloxy)methyl]-4-hydroxymethyl-5-thiomethylimidazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O2S
InChI InChI=1S/C13H16N2O2S/c1-18-13-12(7-16)14-9-15(13)10-17-8-11-5-3-2-4-6-11/h2-6,9,16H,7-8,10H2,1H3
InChIKey DWAAVXHYHZCRII-UHFFFAOYSA-N
Molecular Weight 264.343 g/mol
SMILES OCc1c([n](cn1)COCc1ccccc1)SC
SPLASH splash10-00kf-9260000000-12d6ab0c847e053f795d
Source of Spectrum F-55-939-0
Synonyms [1-[(benzyloxy)methyl]-5-(methylsulfanyl)-1H-imidazol-4-yl]methanol
Wiley ID 836568