{4-[3-(3,4-Dichlorophenoxy)-2-hydroxypropyl]-1,4-diazepan-1-yl}(2-thienyl)methanone

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Systematic / IUPAC Name: {4-[3-(3,4-Dichlorophenoxy)-2-hydroxypropyl]-1,4-diazepan-1-yl}(2-thienyl)methanone

ID: Reference8430

Other Names: Methanone, {4-[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]hexahydro-1H-1,4-diazepin-1-yl}-2-thienyl-

Formula: C19H22Cl2N2O3S

Spectral Data

{4-[3-(3,4-Dichlorophenoxy)-2-hydroxypropyl]-1,4-diazepan-1-yl}(2-thienyl)methanone 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
No. of Spectral Trees 1
No. of Spectra 109
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/10/2018 12:09:23 PM
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Identificators

InChI InChI=1S/C19H22Cl2N2O3S/c20-16-5-4-15(11-17(16)21)26-13-14(24)12-22-6-2-7-23(9-8-22)19(25)18-3-1-10-27-18/h1,3-5,10-11,14,24H,2,6-9,12-13H2
InChI Key KZZPPLXEMPSROA-UHFFFAOYSA-N
Canonical SMILES C1CN(CCN(C1)C(=O)C2=CC=CS2)CC(COC3=CC(=C(C=C3)Cl)Cl)O
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Other Names Methanone, {4-[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]hexahydro-1H-1,4-diazepin-1-yl}-2-thienyl-

In Other Databases

ChemSpider 2074571
PubChem 2795694