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PIPERETINE
SpectraBase Compound ID 3xstsnjmghg
InChI InChI=1S/C19H21NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h1-2,4-5,8-11,14H,3,6-7,12-13,15H2/b2-1+,8-4+,9-5+
InChIKey DLKOUKNODPCIHZ-UMYWTXKFSA-N
Mol Weight 311.38 g/mol
Molecular Formula C19H21NO3
Exact Mass 311.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kdlRjufNaK
Name Piperettin
Classification Plant ingredient of Piper longum
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 311.152143537 u
Formula C19H21NO3
InChI InChI=1S/C19H21NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h1-2,4-5,8-11,14H,3,6-7,12-13,15H2/b2-1+,8-4+,9-5+
InChIKey DLKOUKNODPCIHZ-UMYWTXKFSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 311.381 g/mol
Nominal Mass 311 u
Quality 944
Retention Index 2387
SMILES C12=C(C=CC(=C2)\C=C\C=C\C=C\C(N2CCCCC2)=O)OCO1
SPLASH splash10-016u-2920000000-3020062663516f585672
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (2E,4E,6E)-7-(1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hepta-2,4,6-trien-1-one
Technique GC/MS
Wiley ID DD2024_034571