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2,5-Cyclohexadiene-1,4-dione, 2-octyl-5-[2-[(1-phenyl-1H-tetrazol-5-yl)thio]ethyl]-
SpectraBase Compound ID ImsiVLYrf7b
InChI InChI=1S/C23H28N4O2S/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/h7,9-10,12-13,16-17H,2-6,8,11,14-15H2,1H3
InChIKey LGIFTWCZFNGUCH-UHFFFAOYSA-N
Mol Weight 424.56 g/mol
Molecular Formula C23H28N4O2S
Exact Mass 424.193297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EiHe13yD3V8
Name 2,5-Cyclohexadiene-1,4-dione, 2-octyl-5-[2-[(1-phenyl-1H-tetrazol-5-yl)thio]ethyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28N4O2S
InChI InChI=1S/C23H28N4O2S/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/h7,9-10,12-13,16-17H,2-6,8,11,14-15H2,1H3
InChIKey LGIFTWCZFNGUCH-UHFFFAOYSA-N
Molecular Weight 424.563 g/mol
SMILES CCCCCCCCC1=CC(=O)C(=CC1=O)CCSc1nnn[n]1-c1ccccc1
SPLASH splash10-002e-5950000000-495797db034c046ab35c
Source of Spectrum JX-2015-4-314
Synonyms 2-Octyl-5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)cyclohexa-2,5-diene-1,4-dione 2-Octyl-5-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}cyclohexa-2,5-diene-1,4-dione 2-Octyl-5-[2-[(1-phenyl-5-tetrazolyl)thio]ethyl]cyclohexa-2,5-diene-1,4-dione 2-Octyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]cyclohexa-2,5-diene-1,4-dione 2-Octyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]-1,4-benzoquinone 2-Octyl-5-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]cyclohexa-2,5-diene-1,4-dione
Wiley ID 1725761