SR125047

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Systematic / IUPAC Name: 1-[(2Z)-3-(2-Chloro-3'-methoxy-4-biphenylyl)-2-propen-1-yl]azepane

ID: Reference2787

Other Names: 1H-Azepine, 1-[(2Z)-3-(2-chloro-3'-methoxy[1,1'-biphenyl]-4-yl)-2-propen-1-yl]hexahydro-

Formula: C22H26ClNO

Spectral Data

SR125047 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 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/29/2015 12:42:10 PM
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Identificators

InChI InChI=1S/C22H26ClNO/c1-25-20-10-6-9-19(17-20)21-12-11-18(16-22(21)23)8-7-15-24-13-4-2-3-5-14-24/h6-12,16-17H,2-5,13-15H2,1H3/b8-7-
InChI Key ZDPINFKDQWCRTF-FPLPWBNLSA-N
Canonical SMILES COC1=CC=CC(=C1)C2=C(C=C(C=C2)C=CCN3CCCCCC3)Cl
CAS
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Other Names 1H-Azepine, 1-[(2Z)-3-(2-chloro-3'-methoxy[1,1'-biphenyl]-4-yl)-2-propen-1-yl]hexahydro-

In Other Databases

PubChem 9798769
ChemSpider 7974535
ChEMBL CHEMBL3302617