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1-(7-amino-1,1,3,3,6-pentamethyl-5-indanyl)-3-[m-(methylthio)phenyl]-2-thiourea
SpectraBase Compound ID IoPFENT1vYH
InChI InChI=1S/C22H29N3S2/c1-13-17(25-20(26)24-14-8-7-9-15(10-14)27-6)11-16-18(19(13)23)22(4,5)12-21(16,2)3/h7-11H,12,23H2,1-6H3,(H2,24,25,26)
InChIKey POWHXHKZTIVDLL-UHFFFAOYSA-N
Mol Weight 399.62 g/mol
Molecular Formula C22H29N3S2
Exact Mass 399.18029 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4nipdWm2Fza
Name 1-(7-AMINO-1,1,3,3,6-PENTAMETHYL-5-INDANYL)-3-[m-(METHYLTHIO)PHENYL]-2-THIOUREA
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29N3S2
InChI InChI=1S/C22H29N3S2/c1-13-17(25-20(26)24-14-8-7-9-15(10-14)27-6)11-16-18(19(13)23)22(4,5)12-21(16,2)3/h7-11H,12,23H2,1-6H3,(H2,24,25,26)
InChIKey POWHXHKZTIVDLL-UHFFFAOYSA-N
Melting Point 179C
Molecular Weight 399.62
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms UREA, 1-/7-AMINO-1,1,3,3,6-PENTA- METHYL-5-INDANYL/-3-/M-/METHYLTHIO/PHENYL/-2-THIO-,