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Vallesamine
SpectraBase Compound ID BFmJvJFMd5Z
InChI InChI=1S/C20H24N2O3/c1-3-13-10-22-9-8-16(13)20(12-23,19(24)25-2)18-15(11-22)14-6-4-5-7-17(14)21-18/h3-7,16,21,23H,8-12H2,1-2H3/b13-3-/t16-,20+/m0/s1
InChIKey JZKSIYFJGCTTET-DIYYJNGXSA-N
Mol Weight 340.42 g/mol
Molecular Formula C20H24N2O3
Exact Mass 340.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tdarK8RvQG
Name Vallesamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O3
InChI InChI=1S/C20H24N2O3/c1-3-13-10-22-9-8-16(13)20(12-23,19(24)25-2)18-15(11-22)14-6-4-5-7-17(14)21-18/h3-7,16,21,23H,8-12H2,1-2H3/b13-3-/t16-,20+/m0/s1
InChIKey JZKSIYFJGCTTET-DIYYJNGXSA-N
Molecular Weight 340.423 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@](CO)([C@@]1(\C(CN(C2)CC1)=C\C)[H])C(=O)OC
SPLASH splash10-0a4l-8953000000-43a65467c03953bd891a
Source of Spectrum H-47-2080-4
Synonyms Methyl (12R,13S,14E)-14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.0(3,11).0(4,9)]heptadeca-3(11),4,6,8-tetraene-12-carboxylate
Wiley ID 1335291