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1,4-Benzenediol, 2-octyl-5-[2-[(1-phenyl-1H-tetrazol-5-yl)thio]ethyl]-
SpectraBase Compound ID AxO21ZxEdr7
InChI InChI=1S/C23H30N4O2S/c1-2-3-4-5-6-8-11-18-16-22(29)19(17-21(18)28)14-15-30-23-24-25-26-27(23)20-12-9-7-10-13-20/h7,9-10,12-13,16-17,28-29H,2-6,8,11,14-15H2,1H3
InChIKey VJYFPTKUIPYROL-UHFFFAOYSA-N
Mol Weight 426.58 g/mol
Molecular Formula C23H30N4O2S
Exact Mass 426.208947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 87ha5VO88je
Name 1,4-Benzenediol, 2-octyl-5-[2-[(1-phenyl-1H-tetrazol-5-yl)thio]ethyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30N4O2S
InChI InChI=1S/C23H30N4O2S/c1-2-3-4-5-6-8-11-18-16-22(29)19(17-21(18)28)14-15-30-23-24-25-26-27(23)20-12-9-7-10-13-20/h7,9-10,12-13,16-17,28-29H,2-6,8,11,14-15H2,1H3
InChIKey VJYFPTKUIPYROL-UHFFFAOYSA-N
Molecular Weight 426.579 g/mol
SMILES Oc1cc(c(cc1CCSc1nnn[n]1-c1ccccc1)O)CCCCCCCC
SPLASH splash10-0002-7970000000-005bf2315e7fe0e03daf
Source of Spectrum JX-2015-4-351
Synonyms 2-Octyl-5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)benzene-1,4-diol 2-Octyl-5-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}benzene-1,4-diol 2-Octyl-5-[2-[(1-phenyl-5-tetrazolyl)thio]ethyl]benzene-1,4-diol 2-Octyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzene-1,4-diol 2-Octyl-5-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]benzene-1,4-diol
Wiley ID 1725794