N1-(4-Bromo-3-methylphenyl)azepane-1-carbothioamide

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Systematic / IUPAC Name: N-(4-Bromo-3-methylphenyl)-1-azepanecarbothioamide

ID: Reference4652

Other Names: 1H-Azepine-1-carbothioamide, N-(4-bromo-3-methylphenyl)hexahydro-

Formula: C14H19BrN2S

Spectral Data

N1-(4-Bromo-3-methylphenyl)azepane-1-carbothioamide 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 4/26/2016 10:39:57 AM
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Identificators

InChI InChI=1S/C14H19BrN2S/c1-11-10-12(6-7-13(11)15)16-14(18)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,16,18)
InChI Key HNOPYKKQBOOSDW-UHFFFAOYSA-N
Canonical SMILES CC1=C(C=CC(=C1)NC(=S)N2CCCCCC2)Br
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Other Names 1H-Azepine-1-carbothioamide, N-(4-bromo-3-methylphenyl)hexahydro-

In Other Databases

PubChem 2725452
ChemSpider 2007535