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1H-Isoindole, 3-(ethylthio)-1-[3-(ethylthio)-1H-isoindol-1-ylidene]-
SpectraBase Compound ID 2i9vUhu8hTu
InChI InChI=1S/C20H18N2S2/c1-3-23-19-15-11-7-5-9-13(15)17(21-19)18-14-10-6-8-12-16(14)20(22-18)24-4-2/h5-12H,3-4H2,1-2H3/b18-17+
InChIKey JTUKKUGZHULRNJ-ISLYRVAYSA-N
Mol Weight 350.5 g/mol
Molecular Formula C20H18N2S2
Exact Mass 350.091141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KkO4Ohk8JVN
Name 1H-Isoindole, 3-(ethylthio)-1-[3-(ethylthio)-1H-isoindol-1-ylidene]-
Alternate Name(s) 3-(ethylsulfanyl)-1-[(1E)-3-(ethylsulfanyl)-1H-isoindol-1-ylidene]-1H-isoindole Di-1,1'-(3-S-ethylthioisoindol)ylidene
CAS Registry Number 111153-72-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N2S2
InChI InChI=1S/C20H18N2S2/c1-3-23-19-15-11-7-5-9-13(15)17(21-19)18-14-10-6-8-12-16(14)20(22-18)24-4-2/h5-12H,3-4H2,1-2H3/b18-17+
InChIKey JTUKKUGZHULRNJ-ISLYRVAYSA-N
Molecular Weight 350.498 g/mol
SMILES C1(=N\C(=C\2N=C(SCC)c3c2cccc3)c2c1cccc2)SCC
SPLASH splash10-0fk9-0009000000-304b96eb434a0f006cf0
Source of Spectrum I-65-1712-19
Wiley ID 1341978