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Phenylmethyl (3S)-[2,6-Dioxo-1-(2-phenylethyl)-3-piperidinyl]carbamate
SpectraBase Compound ID HkUYfGbkbiE
InChI InChI=1S/C21H22N2O4/c24-19-12-11-18(22-21(26)27-15-17-9-5-2-6-10-17)20(25)23(19)14-13-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,22,26)/t18-/m0/s1
InChIKey KLBZBEZKVLKUOH-SFHVURJKSA-N
Mol Weight 366.42 g/mol
Molecular Formula C21H22N2O4
Exact Mass 366.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzAF8YjMD8f
Name Phenylmethyl (3S)-[2,6-Dioxo-1-(2-phenylethyl)-3-piperidinyl]carbamate
Appearance White needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O4
InChI InChI=1S/C21H22N2O4/c24-19-12-11-18(22-21(26)27-15-17-9-5-2-6-10-17)20(25)23(19)14-13-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,22,26)/t18-/m0/s1
InChIKey KLBZBEZKVLKUOH-SFHVURJKSA-N
Instrument Name Shimadzu GCMS QP-5050A
Ionization Type EI
Literature Reference DOI 10.1021/np200234e
Molecular Weight 366.417 g/mol
Optical Rotation [a]20D = -30.6 (c = 1.12, CHCl3)
SMILES N([C@]1(CCC(N(C1=O)CCc1ccccc1)=O)[H])C(=O)OCc1ccccc1
SPLASH splash10-0a5c-9500000000-a77f276b638f53e55531
Source of Spectrum G4-74-1533-7
Wiley ID 1849186