Desmethyldoxepin

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Systematic / IUPAC Name: (3E)-3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N-methyl-1-propanamine

ID: Reference687

Other Names: Demethyldoxepin;
N-Desmethyldoxepin;
3-Dibenz(b,e)oxepin-11(6H)-ylidene-N-methyl-1-propanamine;
Dibenz(b,e)oxepin-δ11(6H),Υ-propylamine, N-methyl-;
1-Propanamine, 3-dibenz(b,e)oxepin-11(6H)-ylidene-N-methyl-

Formula: C18H19NO

Class: Therapeutics/Prescription Drugs

Spectral Data

Desmethyldoxepin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 107
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/23/2015 10:31:05 AM
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Identificators

InChI InChI=1S/C18H19NO/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18/h2-5,7-11,19H,6,12-13H2,1H3/b16-10+
InChI Key HVKCEFHNSNZIHO-MHWRWJLKSA-N
Canonical SMILES
CAS 1225565
Splash
Other Names Demethyldoxepin;
N-Desmethyldoxepin;
3-Dibenz(b,e)oxepin-11(6H)-ylidene-N-methyl-1-propanamine;
Dibenz(b,e)oxepin-δ11(6H),Υ-propylamine, N-methyl-;
1-Propanamine, 3-dibenz(b,e)oxepin-11(6H)-ylidene-N-methyl-;
Nordoxepin

In Other Databases

ChemSpider 4938519
ChemIDPlus 001225565
PubChem 6433351