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5(6)-(Butylaminomethyl)benzo[1,2-c]-1,2,5-oxadiazole N1-Oxide
SpectraBase Compound ID KIacvVOZeHf
InChI InChI=1S/C11H15N3O2/c1-2-3-6-12-8-9-4-5-11-10(7-9)13-16-14(11)15/h4-5,7,12H,2-3,6,8H2,1H3
InChIKey MVFXZSSQASWUQU-UHFFFAOYSA-N
Mol Weight 221.26 g/mol
Molecular Formula C11H15N3O2
Exact Mass 221.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKRE8gjLAfZ
Name 5(6)-(Butylaminomethyl)benzo[1,2-c]-1,2,5-oxadiazole N1-Oxide
Alternate Name(s) N-[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)methyl]-1-butanamine N-[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)methyl]butan-1-amine N-[(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)methyl]butan-1-amine
Comments Less than 3 mono-isotopic peaks
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Formula C11H15N3O2
InChI InChI=1S/C11H15N3O2/c1-2-3-6-12-8-9-4-5-11-10(7-9)13-16-14(11)15/h4-5,7,12H,2-3,6,8H2,1H3
InChIKey MVFXZSSQASWUQU-UHFFFAOYSA-N
Molecular Weight 221.260 g/mol
SMILES N(Cc1ccc2[n+](onc2c1)[O-])CCCC
SPLASH splash10-05fr-0090000000-470a8fcf03dcda15f8c0
Source of Spectrum F2-42-1948-0
Wiley ID 1600156