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3C-E
SpectraBase Compound ID CaLq6akj9oy
InChI InChI=1S/C13H21NO3/c1-5-17-13-11(15-3)7-10(6-9(2)14)8-12(13)16-4/h7-9H,5-6,14H2,1-4H3
InChIKey AHLXCGRWNKUNTQ-UHFFFAOYSA-N
Mol Weight 239.31 g/mol
Molecular Formula C13H21NO3
Exact Mass 239.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EqC0msfXor
Name 3C-E
CAS Registry Number 146849-92-5
Classification Designer drug Stimulant
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 239.152143537 u
Formula C13H21NO3
InChI InChI=1S/C13H21NO3/c1-5-17-13-11(15-3)7-10(6-9(2)14)8-12(13)16-4/h7-9H,5-6,14H2,1-4H3
InChIKey AHLXCGRWNKUNTQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 239.315 g/mol
SMILES c1(OC)cc(cc(OC)c1OCC)CC(N)C
SPLASH splash10-00kb-2900000000-4e11feb49882e69ecdd4
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_10852