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Thio-1-piperidinecarboxy-2',4'-xylidide

View entire compound with spectra: 2 NMR, 1 Raman, and 1 UV-Vis

Thio-1-piperidinecarboxy-2',4'-xylidide
SpectraBase Compound ID ASz0R0vN2oO
InChI InChI=1S/C14H20N2S/c1-11-6-7-13(12(2)10-11)15-14(17)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,17)
InChIKey HXBCRRCOOKPBKK-UHFFFAOYSA-N
Mol Weight 248.39 g/mol
Molecular Formula C14H20N2S
Exact Mass 248.13472 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID FeNSduLpQgk
Name Thio-1-piperidinecarboxy-2',4'-xylidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.134719826 u
Formula C14H20N2S
InChI InChI=1S/C14H20N2S/c1-11-6-7-13(12(2)10-11)15-14(17)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,17)
InChIKey HXBCRRCOOKPBKK-UHFFFAOYSA-N
Molecular Weight 248.388 g/mol
SMILES N(C1=C(C=C(C=C1)C)C)C(N1CCCCC1)=S
Spectrum/Structure Validation Score (Raman) 0.976894