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Doxepin-M (HO-) isomer-1 AC
SpectraBase Compound ID GddkYGSr0P6
InChI InChI=1S/C21H23NO3/c1-15(23)25-17-10-11-21-20(13-17)19(9-6-12-22(2)3)18-8-5-4-7-16(18)14-24-21/h4-5,7-11,13H,6,12,14H2,1-3H3/b19-9-
InChIKey GAUAFNSGTMTBJR-OCKHKDLRSA-N
Mol Weight 337.42 g/mol
Molecular Formula C21H23NO3
Exact Mass 337.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8jMAlD2Cyb
Name Doxepin-M (HO-) isomer-1 AC
Classification Antidepressant
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 337.167793602 u
Formula C21H23NO3
InChI InChI=1S/C21H23NO3/c1-15(23)25-17-10-11-21-20(13-17)19(9-6-12-22(2)3)18-8-5-4-7-16(18)14-24-21/h4-5,7-11,13H,6,12,14H2,1-3H3/b19-9-
InChIKey GAUAFNSGTMTBJR-OCKHKDLRSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 337.419 g/mol
SMILES C1c2ccccc2\C(=C\CCN(C)C)c2cc(ccc2O1)OC(C)=O
SPLASH splash10-0a4i-9000000000-909e6910bac584fd9c1a
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_336