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1-[1-(2-hydroxycyclohexyl)cyclohexyl]-3-phenyl-thiourea
SpectraBase Compound ID CZBwtCj3qcl
InChI InChI=1S/C19H28N2OS/c22-17-12-6-5-11-16(17)19(13-7-2-8-14-19)21-18(23)20-15-9-3-1-4-10-15/h1,3-4,9-10,16-17,22H,2,5-8,11-14H2,(H2,20,21,23)/t16-,17+/m0/s1
InChIKey PTBLMHUNNYYRFT-DLBZAZTESA-N
Mol Weight 332.51 g/mol
Molecular Formula C19H28N2OS
Exact Mass 332.192235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FciKuYvL5Jg
Name 1-[1-(2-hydroxycyclohexyl)cyclohexyl]-3-phenyl-thiourea
Alternate Name(s) 1-[1-(2-oxidanylcyclohexyl)cyclohexyl]-3-phenyl-thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28N2OS
InChI InChI=1S/C19H28N2OS/c22-17-12-6-5-11-16(17)19(13-7-2-8-14-19)21-18(23)20-15-9-3-1-4-10-15/h1,3-4,9-10,16-17,22H,2,5-8,11-14H2,(H2,20,21,23)/t16-,17+/m0/s1
InChIKey PTBLMHUNNYYRFT-DLBZAZTESA-N
Molecular Weight 332.506 g/mol
SMILES N(C1([C@@]2([C@@](CCCC2)(O)[H])[H])CCCCC1)C(Nc1ccccc1)=S
SPLASH splash10-0ufu-9400000000-3b4edd7438c6856efc6b
Wiley ID 1451025