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Naphtho[2,3-c]thiophene-4,9-dione, 1,3-diethyl-1,3,3a,9a-tetrahydro-, (1.alpha.,3.beta.,3a.alpha.,9a.alpha.)-
SpectraBase Compound ID 2QgBbSyM5AQ
InChI InChI=1S/C16H18O2S/c1-3-11-13-14(12(4-2)19-11)16(18)10-8-6-5-7-9(10)15(13)17/h5-8,11-14H,3-4H2,1-2H3
InChIKey YHKVDBWERJZINA-UHFFFAOYSA-N
Mol Weight 274.38 g/mol
Molecular Formula C16H18O2S
Exact Mass 274.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3LfYAe0eXE
Name Naphtho[2,3-c]thiophene-4,9-dione, 1,3-diethyl-1,3,3a,9a-tetrahydro-, (1.alpha.,3.beta.,3a.alpha.,9a.alpha.)-
Alternate Name(s) 1,3-Diethyl-1,3,3a,9a-tetrahydronaphtho[2,3-c]thiophen-4,9-dione 1,3-diethyl-1,3,3a,9a-tetrahydronaphtho[2,3-c]thiophene-4,9-dione
CAS Registry Number 87562-89-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O2S
InChI InChI=1S/C16H18O2S/c1-3-11-13-14(12(4-2)19-11)16(18)10-8-6-5-7-9(10)15(13)17/h5-8,11-14H,3-4H2,1-2H3
InChIKey YHKVDBWERJZINA-UHFFFAOYSA-N
Molecular Weight 274.378 g/mol
SMILES C12C(C(=O)c3c(C2=O)cccc3)C(CC)SC1CC
SPLASH splash10-0002-0090000000-de075d3a6519100e0b86
Source of Spectrum KC-1983-1247-0
Wiley ID 1278168