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{2-[Bis(phenylsulfanyl)methyl]phenyl}methylamine
SpectraBase Compound ID H1906bCaxeT
InChI InChI=1S/C20H19NS2/c21-15-16-9-7-8-14-19(16)20(22-17-10-3-1-4-11-17)23-18-12-5-2-6-13-18/h1-14,20H,15,21H2
InChIKey PCEGOLDFJNCTRG-UHFFFAOYSA-N
Mol Weight 337.5 g/mol
Molecular Formula C20H19NS2
Exact Mass 337.095892 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ByiyPOQarvz
Name {2-[bis(Phenylsulfanyl)methyl]phenyl}methylamine
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 337.095891964 u
Formula C20H19NS2
InChI InChI=1S/C20H19NS2/c21-15-16-9-7-8-14-19(16)20(22-17-10-3-1-4-11-17)23-18-12-5-2-6-13-18/h1-14,20H,15,21H2
InChIKey PCEGOLDFJNCTRG-UHFFFAOYSA-N
Molecular Weight 337.499 g/mol
SMILES C(N)C=1C(=CC=CC1)C(SC=1C=CC=CC1)SC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867414