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N-[2'-N'-(Propylcarbamoyl)ethyl]-1,2-benzisothiazol-3(2H)-one
SpectraBase Compound ID AtdOH4h9xhp
InChI InChI=1S/C13H16N2O3S/c1-2-7-14-13(17)18-9-8-15-12(16)10-5-3-4-6-11(10)19-15/h3-6H,2,7-9H2,1H3,(H,14,17)
InChIKey BEOYBNKXIOHHHH-UHFFFAOYSA-N
Mol Weight 280.34 g/mol
Molecular Formula C13H16N2O3S
Exact Mass 280.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dr6ieW02aj
Name N-[2'-N'-(Propylcarbamoyl)ethyl]-1,2-benzisothiazol-3(2H)-one
Alternate Name(s) N-propylcarbamic acid 2-(3-oxo-1,2-benzothiazol-2-yl)ethyl ester 2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-propylcarbamate 2-(3-oxidanylidene-1,2-benzothiazol-2-yl)ethyl N-propylcarbamate
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Formula C13H16N2O3S
InChI InChI=1S/C13H16N2O3S/c1-2-7-14-13(17)18-9-8-15-12(16)10-5-3-4-6-11(10)19-15/h3-6H,2,7-9H2,1H3,(H,14,17)
InChIKey BEOYBNKXIOHHHH-UHFFFAOYSA-N
Molecular Weight 280.342 g/mol
SMILES N(C(OCCN1C(c2ccccc2S1)=O)=O)CCC
SPLASH splash10-004i-0900000000-5a77003995904d150e09
Source of Spectrum D8-329-423-4
Wiley ID 1516235