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1-Hexadecanesulfonamide, N-[3-[2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]phenyl]-
SpectraBase Compound ID K9SoxjRxkvf
InChI InChI=1S/C31H44N2O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-40(36,37)32-27-20-18-19-26(24-27)29(34)25-33-31(35)28-21-15-16-22-30(28)41(33,38)39/h15-16,18-22,24,32H,2-14,17,23,25H2,1H3
InChIKey NYWDUWXQTOVPNA-UHFFFAOYSA-N
Mol Weight 604.8 g/mol
Molecular Formula C31H44N2O6S2
Exact Mass 604.264079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcKqtsY5CNR
Name 1-Hexadecanesulfonamide, N-[3-[2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]phenyl]-
Alternate Name(s) N-(3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetyl)phenyl)hexadecane-1-sulfonamide N-{3-[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]phenyl}hexadecane-1-sulfonamide N-[3-[1-oxo-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl]phenyl]-1-hexadecanesulfonamide N-[3-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]phenyl]hexadecane-1-sulfonamide N-[3-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoyl]phenyl]hexadecane-1-sulfonamide
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Formula C31H44N2O6S2
InChI InChI=1S/C31H44N2O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-40(36,37)32-27-20-18-19-26(24-27)29(34)25-33-31(35)28-21-15-16-22-30(28)41(33,38)39/h15-16,18-22,24,32H,2-14,17,23,25H2,1H3
InChIKey NYWDUWXQTOVPNA-UHFFFAOYSA-N
Molecular Weight 604.821 g/mol
SMILES N(S(CCCCCCCCCCCCCCCC)(=O)=O)c1cccc(c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O
SPLASH splash10-0a4m-9600000000-4865811135a29bcbe926
Source of Spectrum JX-2015-4-1309
Wiley ID 1726698