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Venlafaxine-M (O-demethyl-) AC
SpectraBase Compound ID HA0EEXwzDq
InChI InChI=1S/C18H27NO3/c1-14(20)22-16-9-7-15(8-10-16)17(13-19(2)3)18(21)11-5-4-6-12-18/h7-10,17,21H,4-6,11-13H2,1-3H3
InChIKey KDJXSZKMJPXZME-UHFFFAOYSA-N
Mol Weight 305.42 g/mol
Molecular Formula C18H27NO3
Exact Mass 305.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HFZDTWJLH9L
Name Venlafaxine-M (O-demethyl-) AC
Classification Antidepressant
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Exact Mass 305.199093730 u
Formula C18H27NO3
InChI InChI=1S/C18H27NO3/c1-14(20)22-16-9-7-15(8-10-16)17(13-19(2)3)18(21)11-5-4-6-12-18/h7-10,17,21H,4-6,11-13H2,1-3H3
InChIKey KDJXSZKMJPXZME-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 305.418 g/mol
Related CAS Registry Number(s) 93413-69-5
SMILES C(C1(O)CCCCC1)(c1ccc(OC(=O)C)cc1)CN(C)C
SPLASH splash10-0a4i-9200000000-a173ed6bf146a46a187a
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: 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_5269