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1-Phenyl-2-(1'-phenylhex-5'-en-1'-yn-3'-ylamino)propane-1,3-diol
SpectraBase Compound ID 9p1Ey2ZQ4lJ
InChI InChI=1S/C21H23NO2/c1-2-9-19(15-14-17-10-5-3-6-11-17)22-20(16-23)21(24)18-12-7-4-8-13-18/h2-8,10-13,19-24H,1,9,16H2
InChIKey HXURCBNRVDTYHB-UHFFFAOYSA-N
Mol Weight 321.42 g/mol
Molecular Formula C21H23NO2
Exact Mass 321.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9xW6tXLtuB
Name 1-Phenyl-2-(1'-phenylhex-5'-en-1'-yn-3'-ylamino)propane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO2
InChI InChI=1S/C21H23NO2/c1-2-9-19(15-14-17-10-5-3-6-11-17)22-20(16-23)21(24)18-12-7-4-8-13-18/h2-8,10-13,19-24H,1,9,16H2
InChIKey HXURCBNRVDTYHB-UHFFFAOYSA-N
Molecular Weight 321.420 g/mol
SMILES N(C(CO)C(c1ccccc1)O)C(C#Cc1ccccc1)CC=C
SPLASH splash10-03di-4960000000-4c77335ebfae307ab765
Source of Spectrum H-78-983-6
Synonyms 1-Phenyl-2-{[1-(phenylethynyl)-3-butenyl]amino}-1,3-propanediol
Wiley ID 1321113