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4,4''-Trimethylenebis[thio-1-piperidinecarboxy-3',4'-xylidide]

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

4,4''-Trimethylenebis[thio-1-piperidinecarboxy-3',4'-xylidide]
SpectraBase Compound ID Jctun2qSJnc
InChI InChI=1S/C31H44N4S2/c1-22-8-10-28(20-24(22)3)32-30(36)34-16-12-26(13-17-34)6-5-7-27-14-18-35(19-15-27)31(37)33-29-11-9-23(2)25(4)21-29/h8-11,20-21,26-27H,5-7,12-19H2,1-4H3,(H,32,36)(H,33,37)
InChIKey BFBKQPSHPXNHAP-UHFFFAOYSA-N
Mol Weight 536.8 g/mol
Molecular Formula C31H44N4S2
Exact Mass 536.30074 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID USvRRHyxcL
Name 4,4''-Trimethylenebis[thio-1-piperidinecarboxy-3',4'-xylidide]
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 536.300739781 u
Formula C31H44N4S2
InChI InChI=1S/C31H44N4S2/c1-22-8-10-28(20-24(22)3)32-30(36)34-16-12-26(13-17-34)6-5-7-27-14-18-35(19-15-27)31(37)33-29-11-9-23(2)25(4)21-29/h8-11,20-21,26-27H,5-7,12-19H2,1-4H3,(H,32,36)(H,33,37)
InChIKey BFBKQPSHPXNHAP-UHFFFAOYSA-N
Molecular Weight 536.841 g/mol
SMILES N(C1=CC=C(C(=C1)C)C)C(N1CCC(CCCC2CCN(C(NC=3C=CC(=C(C3)C)C)=S)CC2)CC1)=S
Spectrum/Structure Validation Score (Raman) 0.786633