2-(4-Methylphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine

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Systematic / IUPAC Name: 2-(4-Methylphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine

ID: Reference7137

Other Names:

Formula: C22H19NS

Spectral Data

2-(4-Methylphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine 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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/6/2017 11:36:43 AM
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Identificators

InChI InChI=1S/C22H19NS/c1-16-11-13-18(14-12-16)22-15-20(17-7-3-2-4-8-17)23-19-9-5-6-10-21(19)24-22/h2-14,22H,15H2,1H3
InChI Key BDUFIUKJOJCAHE-UHFFFAOYSA-N
Canonical SMILES CC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=CC=C4
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Other Names

In Other Databases

ChemSpider 2010650
PubChem 2728660
ChEMBL CHEMBL2237291