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(2S,6S)-1-[N-[5'-Phenyl-2'-(ethylthiocarbonyl)-3-ylidene]amino]-2,6-diphenylpiperidine
SpectraBase Compound ID DQaguAGux2b
InChI InChI=1S/C31H38N2OS/c1-3-35-31(34)24(2)28(23-22-25-14-7-4-8-15-25)32-33-29(26-16-9-5-10-17-26)20-13-21-30(33)27-18-11-6-12-19-27/h4-12,14-19,24,28-30,32H,3,13,20-23H2,1-2H3/t24?,28?,29-,30-/m0/s1
InChIKey MPFOMMQRLVLOJV-HZWSVNMCSA-N
Mol Weight 486.7 g/mol
Molecular Formula C31H38N2OS
Exact Mass 486.270485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WKBsAuIuLK
Name (2S,6S)-1-[N-[5'-Phenyl-2'-(ethylthiocarbonyl)-3-ylidene]amino]-2,6-diphenylpiperidine
Alternate Name(s) 3-((2S,6S)-2,6-Diphenyl-piperidin-1-ylamino)-2-methyl-5-phenyl-pentanethioic acid S-ethyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H38N2OS
InChI InChI=1S/C31H38N2OS/c1-3-35-31(34)24(2)28(23-22-25-14-7-4-8-15-25)32-33-29(26-16-9-5-10-17-26)20-13-21-30(33)27-18-11-6-12-19-27/h4-12,14-19,24,28-30,32H,3,13,20-23H2,1-2H3/t24?,28?,29-,30-/m0/s1
InChIKey MPFOMMQRLVLOJV-HZWSVNMCSA-N
Molecular Weight 486.718 g/mol
SMILES N(N1[C@](c2ccccc2)(CCC[C@]1(c1ccccc1)[H])[H])C(C(C(=O)SCC)C)CCc1ccccc1
SPLASH splash10-014r-0009500000-7c9e9b5139799b6040e5
Source of Spectrum F4-38-549-14e
Wiley ID 1669964