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(1-Hydroxy-3-phenyl-(E)-prop-2-enyl)[N,N'-bis(2,2-dimethylpropyl)cyclohexyl-1,2-diamino-3-yl](methoxy)phosphate
SpectraBase Compound ID QlRTDTXS3N
InChI InChI=1S/C26H45N2O3P/c1-25(2,3)19-27-22-15-11-12-16-23(22)28(20-26(4,5)6)32(30,31-7)24(29)18-17-21-13-9-8-10-14-21/h8-10,13-14,17-18,22-24,27,29H,11-12,15-16,19-20H2,1-7H3/b18-17+/t22-,23-,24-,32?/m1/s1
InChIKey VVKXVTCFQDVYMB-NWCARQSDSA-N
Mol Weight 464.6 g/mol
Molecular Formula C26H45N2O3P
Exact Mass 464.31678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LgXIu8B2Cv
Name (1-Hydroxy-3-phenyl-(E)-prop-2-enyl)[N,N'-bis(2,2-dimethylpropyl)cyclohexyl-1,2-diamino-3-yl](methoxy)phosphate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H45N2O3P
InChI InChI=1S/C26H45N2O3P/c1-25(2,3)19-27-22-15-11-12-16-23(22)28(20-26(4,5)6)32(30,31-7)24(29)18-17-21-13-9-8-10-14-21/h8-10,13-14,17-18,22-24,27,29H,11-12,15-16,19-20H2,1-7H3/b18-17+/t22-,23-,24-,32?/m1/s1
InChIKey VVKXVTCFQDVYMB-NWCARQSDSA-N
Molecular Weight 464.631 g/mol
SMILES N([C@]1([C@](N(P([C@](\C=C\c2ccccc2)(O)[H])(=O)OC)CC(C)(C)C)(CCCC1)[H])[H])CC(C)(C)C
SPLASH splash10-0ap3-9304100000-b53c8f08bbbbf6af065f
Source of Spectrum J-60-940-7
Synonyms Methyl P-[(1R,2E)-1-hydroxy-3-phenyl-2-propenyl]-N-neopentyl-N-[(1R,2R)-2-(neopentylamino)cyclohexyl]phosphonamidoate
Wiley ID 1391523