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1,3-Dithian-5-amine, 2-(4-nitrophenyl)-, cis-

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

1,3-Dithian-5-amine, 2-(4-nitrophenyl)-, cis-
SpectraBase Compound ID 5IATKT2Mgts
InChI InChI=1S/C10H12N2O2S2/c11-8-5-15-10(16-6-8)7-1-3-9(4-2-7)12(13)14/h1-4,8,10H,5-6,11H2/t8-,10+
InChIKey XEVMNEVECQRGOO-WAAGHKOSSA-N
Mol Weight 256.34 g/mol
Molecular Formula C10H12N2O2S2
Exact Mass 256.03402 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L2yBOfECTRh
Name 1,3-Dithian-5-amine, 2-(4-nitrophenyl)-, cis-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.034019980 u
Formula C10H12N2O2S2
InChI InChI=1S/C10H12N2O2S2/c11-8-5-15-10(16-6-8)7-1-3-9(4-2-7)12(13)14/h1-4,8,10H,5-6,11H2/t8-,10+
InChIKey XEVMNEVECQRGOO-WAAGHKOSSA-N
Molecular Weight 256.338 g/mol
SMILES C1(N(=O)=O)=CC=C([C@]2(SC[C@](CS2)(N)[H])[H])C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835485