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2-Hexadecylsulfanyl-3-ethoxy-1,4-naphthoquinone
SpectraBase Compound ID GZoQBw56O50
InChI InChI=1S/C28H42O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-22-32-28-26(30)24-21-18-17-20-23(24)25(29)27(28)31-4-2/h17-18,20-21H,3-16,19,22H2,1-2H3
InChIKey YCBVQDZKASZOLJ-UHFFFAOYSA-N
Mol Weight 458.7 g/mol
Molecular Formula C28H42O3S
Exact Mass 458.285466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kbxdb1jHqoP
Name 2-Hexadecylsulfanyl-3-ethoxy-1,4-naphthoquinone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42O3S
InChI InChI=1S/C28H42O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-22-32-28-26(30)24-21-18-17-20-23(24)25(29)27(28)31-4-2/h17-18,20-21H,3-16,19,22H2,1-2H3
InChIKey YCBVQDZKASZOLJ-UHFFFAOYSA-N
Molecular Weight 458.701 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)cccc2)OCC)SCCCCCCCCCCCCCCCC
SPLASH splash10-0a4i-0000900000-3153d958450c474ec5e7
Source of Spectrum O1-46-213-5
Wiley ID 1669210