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N-(benzyloxycarbonyl)-2-ylidene]-5-(1,3-dithian-2-yl)-5-oxopentylamine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N-(benzyloxycarbonyl)-2-ylidene]-5-(1,3-dithian-2-yl)-5-oxopentylamine
SpectraBase Compound ID 19lMoBBuIc0
InChI InChI=1S/C17H23NO3S2/c19-15(16-22-11-6-12-23-16)9-4-5-10-18-17(20)21-13-14-7-2-1-3-8-14/h1-3,7-8,16H,4-6,9-13H2,(H,18,20)
InChIKey IWQXLEAGMXCITI-UHFFFAOYSA-N
Mol Weight 353.5 g/mol
Molecular Formula C17H23NO3S2
Exact Mass 353.111936 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ARvX2Y1u1Uf
Name N-(Benzyloxycarbonyl)-2-ylidene]-5-(1,3-dithian-2-yl)-5-oxopentylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.111935950 u
Formula C17H23NO3S2
InChI InChI=1S/C17H23NO3S2/c19-15(16-22-11-6-12-23-16)9-4-5-10-18-17(20)21-13-14-7-2-1-3-8-14/h1-3,7-8,16H,4-6,9-13H2,(H,18,20)
InChIKey IWQXLEAGMXCITI-UHFFFAOYSA-N
Molecular Weight 353.495 g/mol
SMILES C(=O)(OCC=1C=CC=CC1)NCCCCC(C1SCCCS1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97471