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(+)-NORGUATTEVALINE
SpectraBase Compound ID LDv84crl93T
InChI InChI=1S/C18H19NO4/c1-22-17-15-11-4-3-10(20)7-9(11)8-13-14(15)12(5-6-19-13)16(21)18(17)23-2/h3-4,7,13,19-21H,5-6,8H2,1-2H3/t13-/m0/s1
InChIKey FGQHCEDYOQVMBK-ZDUSSCGKSA-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 8Dnub6GMaev
Name nor-Guattevaline
Comments Less than 3 mono-isotopic peaks
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Formula C18H19NO4
InChI InChI=1S/C18H19NO4/c1-22-17-15-11-4-3-10(20)7-9(11)8-13-14(15)12(5-6-19-13)16(21)18(17)23-2/h3-4,7,13,19-21H,5-6,8H2,1-2H3/t13-/m0/s1
InChIKey FGQHCEDYOQVMBK-ZDUSSCGKSA-N
Molecular Weight 313.353 g/mol
SMILES N1CCc2c(c(c(c-3c2[C@@]1(Cc1cc(ccc31)O)[H])OC)OC)O
SPLASH splash10-03di-0009000000-fd522cbe778ee53f12b9
Source of Spectrum X2-57-894-2
Wiley ID 1605488