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Laetanine
SpectraBase Compound ID KP1cJohSGZF
InChI InChI=1S/C18H19NO4/c1-22-15-7-10-5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(16)11(10)8-13(15)20/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1
InChIKey URQAEFLEDPPPFX-LBPRGKRZSA-N
Mol Weight 313.35 g/mol
Molecular Formula C18H19NO4
Exact Mass 313.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvM3xgNCIxB
Name Laetanine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO4
InChI InChI=1S/C18H19NO4/c1-22-15-7-10-5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(16)11(10)8-13(15)20/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1
InChIKey URQAEFLEDPPPFX-LBPRGKRZSA-N
Molecular Weight 313.353 g/mol
SMILES N1CCc2c3c(-c4cc(c(cc4C[C@]13[H])OC)O)c(c(c2)O)OC
SPLASH splash10-03di-0039000000-4b2856cb4ec17e614a0c
Source of Spectrum X2-46-785-274
Wiley ID 1601323