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1,4-Benzenediol, 2-[[2-(ethylthio)ethyl]thio]-5,6-dimethyl-3-[(1-phenyl-1H-tetrazol-5-yl)thio]-
SpectraBase Compound ID EiSgognXn0I
InChI InChI=1S/C19H22N4O2S3/c1-4-26-10-11-27-17-15(24)12(2)13(3)16(25)18(17)28-19-20-21-22-23(19)14-8-6-5-7-9-14/h5-9,24-25H,4,10-11H2,1-3H3
InChIKey XCTAPDHAIVXMKX-UHFFFAOYSA-N
Mol Weight 434.59 g/mol
Molecular Formula C19H22N4O2S3
Exact Mass 434.090489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVrC9y1hqoy
Name 1,4-Benzenediol, 2-[[2-(ethylthio)ethyl]thio]-5,6-dimethyl-3-[(1-phenyl-1H-tetrazol-5-yl)thio]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N4O2S3
InChI InChI=1S/C19H22N4O2S3/c1-4-26-10-11-27-17-15(24)12(2)13(3)16(25)18(17)28-19-20-21-22-23(19)14-8-6-5-7-9-14/h5-9,24-25H,4,10-11H2,1-3H3
InChIKey XCTAPDHAIVXMKX-UHFFFAOYSA-N
Molecular Weight 434.591 g/mol
SMILES Oc1c(c(c(c(c1SCCSCC)Sc1nnn[n]1-c1ccccc1)O)C)C
SPLASH splash10-000i-9321200000-35698491be3d0505fbd6
Source of Spectrum JX-2015-4-423
Synonyms 2-((2-(ethylthio)ethyl)thio)-5,6-dimethyl-3-((1-phenyl-1H-tetrazol-5-yl)thio)benzene-1,4-diol 2-{[2-(ethylsulfanyl)ethyl]sulfanyl}-5,6-dimethyl-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzene-1,4-diol
Wiley ID 1725863