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(2S)-2-(1,3-benzodioxol-5-yl)-2-(o-veratrylamino)ethanol
SpectraBase Compound ID AmXQsU0qZbx
InChI InChI=1S/C18H21NO5/c1-21-16-5-3-4-13(18(16)22-2)9-19-14(10-20)12-6-7-15-17(8-12)24-11-23-15/h3-8,14,19-20H,9-11H2,1-2H3/t14-/m1/s1
InChIKey IICYQTQMCKOCQL-CQSZACIVSA-N
Mol Weight 331.37 g/mol
Molecular Formula C18H21NO5
Exact Mass 331.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14Ybflwykiv
Name (2S)-2-(1,3-benzodioxol-5-yl)-2-(o-veratrylamino)ethanol
Comments Less than 3 mono-isotopic peaks
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Formula C18H21NO5
InChI InChI=1S/C18H21NO5/c1-21-16-5-3-4-13(18(16)22-2)9-19-14(10-20)12-6-7-15-17(8-12)24-11-23-15/h3-8,14,19-20H,9-11H2,1-2H3/t14-/m1/s1
InChIKey IICYQTQMCKOCQL-CQSZACIVSA-N
Molecular Weight 331.368 g/mol
SMILES N([C@](CO)(c1cc2c(OCO2)cc1)[H])Cc1c(c(OC)ccc1)OC
SPLASH splash10-0udi-0900000000-21bf6cdb42ff78a2147b
Source of Spectrum K1-2001-4349-8
Synonyms (2S)-2-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methylamino]ethanol
Wiley ID 813691