DDMS

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Systematic / IUPAC Name: 12,12-Dibromo-N-(methylsulfonyl)-11-dodecenamide

ID: Reference4436

Other Names: N-(12,12-Dibromo-dodec-11-enoyl)-methanesulfonamide;
11-Dodecenamide, 12,12-dibromo-N-(methylsulfonyl)-

Formula: C13H23Br2NO3S

Class: Endogenous Metabolites

Spectral Data

DDMS 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 Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 142
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/6/2016 12:49:51 PM
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Identificators

InChI InChI=1S/C13H23Br2NO3S/c1-20(18,19)16-13(17)11-9-7-5-3-2-4-6-8-10-12(14)15/h10H,2-9,11H2,1H3,(H,16,17)
InChI Key BDCZFOHEQGRTBW-UHFFFAOYSA-N
Canonical SMILES CS(=O)(=O)NC(=O)CCCCCCCCCC=C(Br)Br
CAS 206052031
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Other Names N-(12,12-Dibromo-dodec-11-enoyl)-methanesulfonamide;
11-Dodecenamide, 12,12-dibromo-N-(methylsulfonyl)-

In Other Databases

ChemSpider 9387723
PubChem 11212661
ChEMBL CHEMBL184786