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1H-Isoindol-1-imine, 3-(methylthio)-
SpectraBase Compound ID DJGBXCBWzdW
InChI InChI=1S/C9H8N2S/c1-12-9-7-5-3-2-4-6(7)8(10)11-9/h2-5,10H,1H3
InChIKey HXPOJUVFCNRHIC-UHFFFAOYSA-N
Mol Weight 176.24 g/mol
Molecular Formula C9H8N2S
Exact Mass 176.040819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tmmKmOE9cp
Name 1H-Isoindol-1-imine, 3-(methylthio)-
Alternate Name(s) 1H-Isoindole, 1-imino-3-(methylthio)- 1-Imino-3-methylthioisoindolenine 3-(methylsulfanyl)-1H-isoindol-1-imine
CAS Registry Number 108302-88-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2S
InChI InChI=1S/C9H8N2S/c1-12-9-7-5-3-2-4-6(7)8(10)11-9/h2-5,10H,1H3
InChIKey HXPOJUVFCNRHIC-UHFFFAOYSA-N
Molecular Weight 176.237 g/mol
SMILES N=C1N=C(c2ccccc12)SC
SPLASH splash10-00or-0900000000-a7a2b2977652f36c7c41
Source of Spectrum I-66-1062-6
Wiley ID 1172164