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Ismine
SpectraBase Compound ID 28CjE1dCG7C
InChI InChI=1S/C15H15NO3/c1-16-13-5-3-2-4-11(13)10-6-7-14-15(12(10)8-17)19-9-18-14/h2-7,16-17H,8-9H2,1H3
InChIKey BKPFNBNPGYAIHS-UHFFFAOYSA-N
Mol Weight 257.29 g/mol
Molecular Formula C15H15NO3
Exact Mass 257.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0UMzb10Hp8
Name Ismine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15NO3
InChI InChI=1S/C15H15NO3/c1-16-13-5-3-2-4-11(13)10-6-7-14-15(12(10)8-17)19-9-18-14/h2-7,16-17H,8-9H2,1H3
InChIKey BKPFNBNPGYAIHS-UHFFFAOYSA-N
Molecular Weight 257.289 g/mol
SMILES N(c1c(-c2c(CO)c3c(cc2)OCO3)cccc1)C
SPLASH splash10-000i-0190000000-0db5b4ba15822b2a918b
Source of Spectrum G4-64-841-2
Synonyms 2-[(3',4'-Methylenedioxy)-2'-(hydroxymethyl)phenyl]-N-methylaniline {5-[2-(methylamino)phenyl]-1,3-benzodioxol-4-yl}methanol
Wiley ID 1609040