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2-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)amino]-4,5,6,7-tetrahydrobenzo[b]thiophen-3-carbonitrile
SpectraBase Compound ID 8pLx6jOqBI8
InChI InChI=1S/C19H14N2O2S/c20-10-14-12-6-3-4-8-17(12)24-19(14)21-15-9-16(22)11-5-1-2-7-13(11)18(15)23/h1-2,5,7,9,21H,3-4,6,8H2
InChIKey XMSXPUPIPOASSL-UHFFFAOYSA-N
Mol Weight 334.39 g/mol
Molecular Formula C19H14N2O2S
Exact Mass 334.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oDa6XdAuma
Name 2-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)amino]-4,5,6,7-tetrahydrobenzo[b]thiophen-3-carbonitrile
Appearance Dark-violet powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14N2O2S
InChI InChI=1S/C19H14N2O2S/c20-10-14-12-6-3-4-8-17(12)24-19(14)21-15-9-16(22)11-5-1-2-7-13(11)18(15)23/h1-2,5,7,9,21H,3-4,6,8H2
InChIKey XMSXPUPIPOASSL-UHFFFAOYSA-N
Instrument Name Varian MAT 311A and AMD 604
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0007.f05
Molecular Weight 334.393 g/mol
SMILES N(C=1C(=O)c2ccccc2C(C1)=O)c1c(c2c(s1)CCCC2)C#N
SPLASH splash10-001i-0209000000-0c5c61f498d8c928f80c
Source of Spectrum ARK-2006-43-6
Wiley ID 1871211