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trans-N-[(S)-1-Phenylethyl]-2-benzylsulfanycyclohexylamine isomer
SpectraBase Compound ID COHBjZXt0tT
InChI InChI=1S/C21H27NS/c1-17(19-12-6-3-7-13-19)22-20-14-8-9-15-21(20)23-16-18-10-4-2-5-11-18/h2-7,10-13,17,20-22H,8-9,14-16H2,1H3/t17-,20+,21+/m0/s1
InChIKey SQEQUWRECZEHOK-IOMROCGXSA-N
Mol Weight 325.51 g/mol
Molecular Formula C21H27NS
Exact Mass 325.186421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7myXJLgP4Gp
Name trans-N-[(S)-1-Phenylethyl]-2-benzylsulfanycyclohexylamine isomer
Alternate Name(s) (trans)-N-[(S)-1'-Phenylethyl]-2-(benzylthio)cyclohexylamine (1R,2R)-N-[(1S)-1-phenylethyl]-2-(phenylmethylthio)-1-cyclohexanamine (1R,2R)-2-benzylsulfanyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine (1R,2R)-2-benzylsulfanyl-N-[(1S)-1-phenylethyl]cyclohexanamine (1R,2R)-N-[(1S)-1-phenylethyl]-2-(phenylmethylsulfanyl)cyclohexan-1-amine
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Formula C21H27NS
InChI InChI=1S/C21H27NS/c1-17(19-12-6-3-7-13-19)22-20-14-8-9-15-21(20)23-16-18-10-4-2-5-11-18/h2-7,10-13,17,20-22H,8-9,14-16H2,1H3/t17-,20+,21+/m0/s1
InChIKey SQEQUWRECZEHOK-IOMROCGXSA-N
Molecular Weight 325.514 g/mol
SMILES N([C@]1([C@](SCc2ccccc2)(CCCC1)[H])[H])[C@](c1ccccc1)(C)[H]
SPLASH splash10-0a5c-3691000000-7b403139a6bd80ae2cc2
Source of Spectrum KC-1-364-19
Wiley ID 1577574