N-[4-(1,3-Benzothiazol-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide

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Systematic / IUPAC Name: N-[4-(1,3-Benzothiazol-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide

ID: Reference4690

Other Names: 2H-1,5-Benzodioxepin-6-carboxamide, N-[4-(2-benzothiazolyl)phenyl]-3,4-dihydro-

Formula: C23H18N2O3S

Spectral Data

N-[4-(1,3-Benzothiazol-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide 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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/27/2016 12:25:16 PM
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Identificators

InChI InChI=1S/C23H18N2O3S/c26-22(17-5-3-7-19-21(17)28-14-4-13-27-19)24-16-11-9-15(10-12-16)23-25-18-6-1-2-8-20(18)29-23/h1-3,5-12H,4,13-14H2,(H,24,26)
InChI Key HNOOESVXWOOHCI-UHFFFAOYSA-N
Canonical SMILES C1COC2=CC=CC(=C2OC1)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4
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Other Names 2H-1,5-Benzodioxepin-6-carboxamide, N-[4-(2-benzothiazolyl)phenyl]-3,4-dihydro-

In Other Databases

ChemSpider 2019974
PubChem 2738349