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Lofentanil
SpectraBase Compound ID GLUYB5EH8W6
InChI InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/t20-,25+/m1/s1
InChIKey IMYHGORQCPYVBZ-NLFFAJNJSA-N
Mol Weight 408.5 g/mol
Molecular Formula C25H32N2O3
Exact Mass 408.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYgW29XzGhb
Name Lofentanil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32N2O3
InChI InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/t20-,25+/m1/s1
InChIKey IMYHGORQCPYVBZ-NLFFAJNJSA-N
Molecular Weight 408.542 g/mol
SMILES COC([C@@]1(N(c2ccccc2)C(CC)=O)[C@@](CN(CC1)CCc1ccccc1)(C)[H])=O
SPLASH splash10-014i-3639000000-14f5a1ffd97f6daa6181
Source of Spectrum SWG-33-2814-0
Synonyms Methyl (3S,4R)-3-methyl-1-(2-phenylethyl)-4-[phenyl(propionyl)amino]piperidine-4-carboxylate Methyl (3R,4S)-3-methyl-1-phenethyl-4-(N-phenylpropionamido)piperidine-4-carboxylate
Wiley ID 1809828