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2-(2-Acetylanilino)-5-(octylthio)benzo[l,4]quinone
SpectraBase Compound ID 6rFYaDEhvvL
InChI InChI=1S/C22H27NO3S/c1-3-4-5-6-7-10-13-27-22-15-20(25)19(14-21(22)26)23-18-12-9-8-11-17(18)16(2)24/h8-9,11-12,14-15,23H,3-7,10,13H2,1-2H3
InChIKey FEVIRLHIMQOFJB-UHFFFAOYSA-N
Mol Weight 385.52 g/mol
Molecular Formula C22H27NO3S
Exact Mass 385.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GQo4q7ERpg
Name 2-(2-Acetylanilino)-5-(octylthio)benzo[l,4]quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO3S
InChI InChI=1S/C22H27NO3S/c1-3-4-5-6-7-10-13-27-22-15-20(25)19(14-21(22)26)23-18-12-9-8-11-17(18)16(2)24/h8-9,11-12,14-15,23H,3-7,10,13H2,1-2H3
InChIKey FEVIRLHIMQOFJB-UHFFFAOYSA-N
Molecular Weight 385.522 g/mol
SMILES N(C1=CC(=O)C(=CC1=O)SCCCCCCCC)c1c(C(=O)C)cccc1
SPLASH splash10-0f79-0039000000-5514f43fd29b5d0e8f1d
Source of Spectrum F-66-4981-14b
Wiley ID 1683246