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5MT-NB3Cl
SpectraBase Compound ID BPtRi3ZinRS
InChI InChI=1S/C18H19ClN2O/c1-22-16-5-6-18-17(10-16)14(12-21-18)7-8-20-11-13-3-2-4-15(19)9-13/h2-6,9-10,12,20-21H,7-8,11H2,1H3
InChIKey XZRWKHDQANRTQI-UHFFFAOYSA-N
Mol Weight 314.82 g/mol
Molecular Formula C18H19ClN2O
Exact Mass 314.118591 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ujJp4QIgy
Name 5MT-NB3Cl
Classification Designer drug
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Exact Mass 314.118590939 u
Formula C18H19N2OCl
InChI InChI=1S/C18H19ClN2O/c1-22-16-5-6-18-17(10-16)14(12-21-18)7-8-20-11-13-3-2-4-15(19)9-13/h2-6,9-10,12,20-21H,7-8,11H2,1H3
InChIKey XZRWKHDQANRTQI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 314.816 g/mol
SMILES c1(ccc2[nH]cc(c2c1)CCNCc1cc(ccc1)Cl)OC
SPLASH splash10-03di-1900000000-efd523eb3c1c54f4f6f6
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_9966