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MDA19
SpectraBase Compound ID 4xgAVvOqkzK
InChI InChI=1S/C21H23N3O2/c1-2-3-4-10-15-24-18-14-9-8-13-17(18)19(21(24)26)22-23-20(25)16-11-6-5-7-12-16/h5-9,11-14H,2-4,10,15H2,1H3,(H,23,25)/b22-19-
InChIKey ZGQHMZCITJHYOW-QOCHGBHMSA-N
Mol Weight 349.43 g/mol
Molecular Formula C21H23N3O2
Exact Mass 349.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRFKGTroZY4
Name MDA-19
CAS Registry Number 1048973-47-2
Classification Cannabinoid
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 349.179026991 u
Formula C21H23N3O2
InChI InChI=1S/C21H23N3O2/c1-2-3-4-10-15-24-18-14-9-8-13-17(18)19(21(24)26)22-23-20(25)16-11-6-5-7-12-16/h5-9,11-14H,2-4,10,15H2,1H3,(H,23,25)/b22-19-
InChIKey ZGQHMZCITJHYOW-QOCHGBHMSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 349.434 g/mol
SMILES c12ccccc1N(C(\C2=N\NC(c1ccccc1)=O)=O)CCCCCC
SPLASH splash10-0a4i-4910000000-633f722e8ac7dbbbaf3a
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_10467