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Noxiptyline-M - H2O 2AC
SpectraBase Compound ID FxMe1JHTNUG
InChI InChI=1S/C22H22N2O4/c1-14(15(2)25)23-13-27-24-22-18-9-5-4-8-17(18)12-21(28-16(3)26)19-10-6-7-11-20(19)22/h4-12,14,23H,13H2,1-3H3/b24-22+
InChIKey YFIAWVWRLLRAHN-ZNTNEXAZSA-N
Mol Weight 378.43 g/mol
Molecular Formula C22H22N2O4
Exact Mass 378.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0sMPTuhY1g
Name Noxiptyline-M - H2O 2AC
Classification Antidepressant
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Exact Mass 378.157957192 u
Formula C22H22N2O4
InChI InChI=1S/C22H22N2O4/c1-14(15(2)25)23-13-27-24-22-18-9-5-4-8-17(18)12-21(28-16(3)26)19-10-6-7-11-20(19)22/h4-12,14,23H,13H2,1-3H3/b24-22+
InChIKey YFIAWVWRLLRAHN-ZNTNEXAZSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 378.428 g/mol
SMILES c12ccccc2\C(c2ccccc2C=C1OC(C)=O)=N\OCNC(C(C)=O)C
SPLASH splash10-0l90-4940000000-a6794658c4cd523c767a
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
Synonyms Noxiptyline-M (nor-di-HO-) -H2O 2AC
Technique GC/MS
Wiley ID MMPW6e_1174