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1,4,7-Triphenyl-6-acetamidoheptanol isomer
SpectraBase Compound ID 2vTmBSaX4rJ
InChI InChI=1S/C27H31NO2/c1-21(29)28-26(19-22-11-5-2-6-12-22)18-17-25(23-13-7-3-8-14-23)20-27(30)24-15-9-4-10-16-24/h2-16,25-27,30H,17-20H2,1H3,(H,28,29)
InChIKey PBNUQSVCZRWREB-UHFFFAOYSA-N
Mol Weight 401.55 g/mol
Molecular Formula C27H31NO2
Exact Mass 401.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91v7AbQMLED
Name 1,4,7-Triphenyl-6-acetamidoheptanol isomer
Alternate Name(s) 1,4,7-Triphenyl-6-acetamidoheptanol 1,4,6-Triphenyl-6-acetamidoheptanol isomer 1,4,6-Triphenyl-6-acetamidoheptanol N-(1-benzyl-6-hydroxy-3,6-diphenylhexyl)acetamide
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Formula C27H31NO2
InChI InChI=1S/C27H31NO2/c1-21(29)28-26(19-22-11-5-2-6-12-22)18-17-25(23-13-7-3-8-14-23)20-27(30)24-15-9-4-10-16-24/h2-16,25-27,30H,17-20H2,1H3,(H,28,29)
InChIKey PBNUQSVCZRWREB-UHFFFAOYSA-N
Molecular Weight 401.550 g/mol
SMILES N(C(=O)C)C(CCC(CC(c1ccccc1)O)c1ccccc1)Cc1ccccc1
SPLASH splash10-0a4l-5941000000-0746ab01f84765857d46
Source of Spectrum KC-0-1980-10
Wiley ID 821316