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Oxeladin MS2
SpectraBase Compound ID K3FVcPj6x04
InChI InChI=1S/C20H33NO3/c1-5-20(6-2,18-13-10-9-11-14-18)19(22)24-16-12-15-23-17-21(7-3)8-4/h9-11,13-14H,5-8,12,15-17H2,1-4H3
InChIKey LEYHAPSAFLWTSR-UHFFFAOYSA-N
Mol Weight 335.5 g/mol
Molecular Formula C20H33NO3
Exact Mass 335.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zkDceXx4a
Name Oxeladin
CAS Registry Number 468-61-1
Classification Antitussive
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Exact Mass 335.246043924 u
Formula C20H33NO3
InChI InChI=1S/C20H33NO3/c1-5-20(6-2,18-13-10-9-11-14-18)19(22)24-16-12-15-23-17-21(7-3)8-4/h9-11,13-14H,5-8,12,15-17H2,1-4H3
InChIKey LEYHAPSAFLWTSR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 335.488 g/mol
SMILES c1c(C(CC)(CC)C(OCCCOCN(CC)CC)=O)cccc1
SPLASH splash10-000i-9100000000-47f3e6af3045a612838e
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.
Sample Preparation Procedure Detected: P U+UHYAC
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_1163