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1-Ethanone, 1-(3,4-dimethoxyphenyl)-2-[[1-(phenylmethyl)-1H-1,2,3,4-tetrazol-5-yl]thio]-
SpectraBase Compound ID 6icUcGFsjOA
InChI InChI=1S/C18H18N4O3S/c1-24-16-9-8-14(10-17(16)25-2)15(23)12-26-18-19-20-21-22(18)11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3
InChIKey VFTBHVXUZBTZNH-UHFFFAOYSA-N
Mol Weight 370.43 g/mol
Molecular Formula C18H18N4O3S
Exact Mass 370.109962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qkBNX3mmsc
Name 1-Ethanone, 1-(3,4-dimethoxyphenyl)-2-[[1-(phenylmethyl)-1H-1,2,3,4-tetrazol-5-yl]thio]-
Alternate Name(s) 1-(3,4-dimethoxyphenyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]ethanone 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(3,4-dimethoxyphenyl)ethanone 1-(3,4-dimethoxyphenyl)-2-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N4O3S
InChI InChI=1S/C18H18N4O3S/c1-24-16-9-8-14(10-17(16)25-2)15(23)12-26-18-19-20-21-22(18)11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3
InChIKey VFTBHVXUZBTZNH-UHFFFAOYSA-N
Molecular Weight 370.427 g/mol
SMILES COc1cc(C(CSc2nnn[n]2Cc2ccccc2)=O)ccc1OC
SPLASH splash10-014i-5901000000-db76326945d460e4a16a
Source of Spectrum IY-2-4850-6
Wiley ID 1656729