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2-acetyl-3a-methyl-4H-[1,2,4]triazolo[5,1-c][1,4]benzoxazine-3-carbaldehyde
SpectraBase Compound ID 6M51A2B5nT1
InChI InChI=1S/C13H13N3O3/c1-9(18)12-14-16-10-5-3-4-6-11(10)19-7-13(16,2)15(12)8-17/h3-6,8H,7H2,1-2H3
InChIKey HWPZJUPPHAQKSG-UHFFFAOYSA-N
Mol Weight 259.26 g/mol
Molecular Formula C13H13N3O3
Exact Mass 259.095691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32vubtULrZF
Name 2-acetyl-3a-methyl-4H-[1,2,4]triazolo[5,1-c][1,4]benzoxazine-3-carbaldehyde
Alternate Name(s) 2-acetyl-3a-methyl-4H-[1,2,4]triazolo[5,1-c][1,4]benzoxazine-3-carboxaldehyde 2-ethanoyl-3a-methyl-4H-[1,2,4]triazolo[5,1-c][1,4]benzoxazine-3-carbaldehyde
CAS Registry Number 125710-23-8
Comments Less than 3 mono-isotopic peaks
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Formula C13H13N3O3
InChI InChI=1S/C13H13N3O3/c1-9(18)12-14-16-10-5-3-4-6-11(10)19-7-13(16,2)15(12)8-17/h3-6,8H,7H2,1-2H3
InChIKey HWPZJUPPHAQKSG-UHFFFAOYSA-N
Molecular Weight 259.265 g/mol
SMILES C12(N(C(=NN2c2ccccc2OC1)C(=O)C)C=O)C
SPLASH splash10-053r-0090000000-960ebce68d86c665c293
Source of Spectrum Y-26-900-5
Wiley ID 1262630