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3-ethyl-1-[3-[(ethylthiocarbamoylamino)methyl]benzyl]thiourea
SpectraBase Compound ID FADnyyY1ESj
InChI InChI=1S/C14H22N4S2/c1-3-15-13(19)17-9-11-6-5-7-12(8-11)10-18-14(20)16-4-2/h5-8H,3-4,9-10H2,1-2H3,(H2,15,17,19)(H2,16,18,20)
InChIKey KPVDQWNIJMKNOI-UHFFFAOYSA-N
Mol Weight 310.48 g/mol
Molecular Formula C14H22N4S2
Exact Mass 310.128589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GwsoJDea1eP
Name 3-ethyl-1-[3-[(ethylthiocarbamoylamino)methyl]benzyl]thiourea
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H22N4S2
InChI InChI=1S/C14H22N4S2/c1-3-15-13(19)17-9-11-6-5-7-12(8-11)10-18-14(20)16-4-2/h5-8H,3-4,9-10H2,1-2H3,(H2,15,17,19)(H2,16,18,20)
InChIKey KPVDQWNIJMKNOI-UHFFFAOYSA-N
Literature Reference Author H.H.ZEPIK,S.A.BENNER
Literature Reference Citation J.ORG.CHEM.,64,8080(1999)
Literature Reference DOI 10.1021/jo982418+
Molecular Weight 310.475 g/mol
Sample ID 40412
Solvent DMSO-D6