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5-(4-Nitrophenylamino)-6-(phenylthio)hex-1-ene

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

5-(4-Nitrophenylamino)-6-(phenylthio)hex-1-ene
SpectraBase Compound ID 74LdpY6bnDc
InChI InChI=1S/C18H20N2O2S/c1-2-3-7-16(14-23-18-8-5-4-6-9-18)19-15-10-12-17(13-11-15)20(21)22/h2,4-6,8-13,16,19H,1,3,7,14H2
InChIKey RHZKPMXNIPNAMT-UHFFFAOYSA-N
Mol Weight 328.43 g/mol
Molecular Formula C18H20N2O2S
Exact Mass 328.124549 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hu4F9cXzAkR
Name 5-(4-Nitrophenylamino)-6-(phenylthio)hex-1-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.124549064 u
Formula C18H20N2O2S
InChI InChI=1S/C18H20N2O2S/c1-2-3-7-16(14-23-18-8-5-4-6-9-18)19-15-10-12-17(13-11-15)20(21)22/h2,4-6,8-13,16,19H,1,3,7,14H2
InChIKey RHZKPMXNIPNAMT-UHFFFAOYSA-N
Molecular Weight 328.430 g/mol
SMILES C1(N(=O)=O)=CC=C(NC(CSC=2C=CC=CC2)CCC=C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867956