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Clomipramine-M (HO-) isomer-1 AC
SpectraBase Compound ID EExir6SlVCY
InChI InChI=1S/C21H25ClN2O2/c1-15(25)26-19-10-8-17-6-5-16-7-9-18(22)13-20(16)24(21(17)14-19)12-4-11-23(2)3/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKey LXMBSWLTZWIFER-UHFFFAOYSA-N
Mol Weight 372.9 g/mol
Molecular Formula C21H25ClN2O2
Exact Mass 372.160456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZbNL38Bgli
Name Clomipramine-M (HO-) isomer-1 AC
Classification Antidepressant
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 372.160455751 u
Formula C21H25ClN2O2
InChI InChI=1S/C21H25ClN2O2/c1-15(25)26-19-10-8-17-6-5-16-7-9-18(22)13-20(16)24(21(17)14-19)12-4-11-23(2)3/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKey LXMBSWLTZWIFER-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 372.896 g/mol
SMILES c12ccc(cc1N(c1cc(ccc1CC2)Cl)CCCN(C)C)OC(C)=O
SPLASH splash10-0a4i-9140000000-0b45d5a754beb39ef038
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_317