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5,6-Dihydro[1]-(4'-methyl)benzoxepino[5,4-d]pyrimidine
SpectraBase Compound ID 8BUt8i9ZNAG
InChI InChI=1S/C13H12N2O/c1-9-10-6-7-16-12-5-3-2-4-11(12)13(10)15-8-14-9/h2-5,8H,6-7H2,1H3
InChIKey IUKWAAAKMKFESB-UHFFFAOYSA-N
Mol Weight 212.25 g/mol
Molecular Formula C13H12N2O
Exact Mass 212.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqtiEnpHx9l
Name 5,6-Dihydro[1]-(4'-methyl)benzoxepino[5,4-d]pyrimidine
Comments Less than 3 mono-isotopic peaks
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Formula C13H12N2O
InChI InChI=1S/C13H12N2O/c1-9-10-6-7-16-12-5-3-2-4-11(12)13(10)15-8-14-9/h2-5,8H,6-7H2,1H3
InChIKey IUKWAAAKMKFESB-UHFFFAOYSA-N
Molecular Weight 212.252 g/mol
SMILES c12-c3c(OCCc2c(C)ncn1)cccc3
SPLASH splash10-01t9-9060000000-440971537931b7f3e6d6
Source of Spectrum Y-30-1656-30
Wiley ID 761278