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1-(4-Bromophenyl)sulfonylazepane
SpectraBase Compound ID JMPuAEy29Zw
InChI InChI=1S/C12H16BrNO2S/c13-11-5-7-12(8-6-11)17(15,16)14-9-3-1-2-4-10-14/h5-8H,1-4,9-10H2
InChIKey CRHZHJNOPUDTDM-UHFFFAOYSA-N
Mol Weight 318.23 g/mol
Molecular Formula C12H16BrNO2S
Exact Mass 317.008513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JaMajVTre1S
Name 1-(4-Bromophenyl)sulfonylazepane
Comments Less than 3 mono-isotopic peaks
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Formula C12H16BrNO2S
InChI InChI=1S/C12H16BrNO2S/c13-11-5-7-12(8-6-11)17(15,16)14-9-3-1-2-4-10-14/h5-8H,1-4,9-10H2
InChIKey CRHZHJNOPUDTDM-UHFFFAOYSA-N
Molecular Weight 318.229 g/mol
SMILES c1(ccc(cc1)Br)S(=O)(=O)N1CCCCCC1
SPLASH splash10-00kb-9006000000-7d3b26b386388fb1fc27
Source of Spectrum D8-326-838-2
Synonyms 1-Brosylazepane
Wiley ID 1514917