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1,3-bis(2-thenyl)-5-cyanohexahydro-5-pyrimidinecarboxylic acid

View entire compound with spectra: 1 NMR, and 1 FTIR

1,3-bis(2-thenyl)-5-cyanohexahydro-5-pyrimidinecarboxylic acid
SpectraBase Compound ID IoQ8VcvHfPO
InChI InChI=1S/C16H17N3O2S2/c17-9-16(15(20)21)10-18(7-13-3-1-5-22-13)12-19(11-16)8-14-4-2-6-23-14/h1-6H,7-8,10-12H2,(H,20,21)
InChIKey VRHMRBBMEFXGPN-UHFFFAOYSA-N
Mol Weight 347.45 g/mol
Molecular Formula C16H17N3O2S2
Exact Mass 347.076219 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9KtN8HDkEg7
Name 1,3-BIS(2-THENYL)-5-CYANOHEXAHYDRO-5-PYRIMIDINECARBOXYLIC ACID
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3O2S2
InChI InChI=1S/C16H17N3O2S2/c17-9-16(15(20)21)10-18(7-13-3-1-5-22-13)12-19(11-16)8-14-4-2-6-23-14/h1-6H,7-8,10-12H2,(H,20,21)
InChIKey VRHMRBBMEFXGPN-UHFFFAOYSA-N
Melting Point 113C
Molecular Weight 347.46
Technique KBr WAFER