25C-NB3OMe

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Systematic / IUPAC Name: 2-(4-Chloro-2,5-dimethoxyphenyl)-N-(3-methoxybenzyl)ethanamine

ID: Reference6048

Other Names: 4-Chloro-2,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-benzeneethanamine ;
Benzeneethanamine, 4-chloro-2,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-

Formula: C18H22ClNO3

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

25C-NB3OMe 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 Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/21/2016 11:12:22 AM
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Identificators

InChI InChI=1S/C18H22ClNO3/c1-21-15-6-4-5-13(9-15)12-20-8-7-14-10-18(23-3)16(19)11-17(14)22-2/h4-6,9-11,20H,7-8,12H2,1-3H3
InChI Key CSLNJUOCJZCEIR-UHFFFAOYSA-N
Canonical SMILES COC1=CC=CC(=C1)CNCCC2=CC(=C(C=C2OC)Cl)OC
CAS
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Other Names 4-Chloro-2,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-benzeneethanamine ;
Benzeneethanamine, 4-chloro-2,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-

In Other Databases

PubChem 118796502
ChemSpider 52085462