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2H-3,1-Benzoxazine, cyanamide deriv.
SpectraBase Compound ID HTupX9l42PL
InChI InChI=1S/C9H7N3O/c10-6-11-9-12-8-4-2-1-3-7(8)5-13-9/h1-4H,5H2,(H,11,12)
InChIKey SGKWBZJYUSNOEB-UHFFFAOYSA-N
Mol Weight 173.17 g/mol
Molecular Formula C9H7N3O
Exact Mass 173.058912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qp5bjzs5Hz
Name 2H-3,1-Benzoxazine, cyanamide deriv.
Alternate Name(s) Cyanamide, (1,4-dihydro-2H-3,1-benzoxazin-2-ylidene)- (2Z)-1,4-dihydro-2H-3,1-benzoxazin-2-ylidenecyanamide 2-N-cyanoimino-1H,4H-3,1-benzoxazine
CAS Registry Number 121743-53-1
Comments Less than 3 mono-isotopic peaks
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Formula C9H7N3O
InChI InChI=1S/C9H7N3O/c10-6-11-9-12-8-4-2-1-3-7(8)5-13-9/h1-4H,5H2,(H,11,12)
InChIKey SGKWBZJYUSNOEB-UHFFFAOYSA-N
Molecular Weight 173.175 g/mol
SMILES N1c2ccccc2CO\C1=N\C#N
SPLASH splash10-00e9-0900000000-9078392c8c794b85d5e7
Source of Spectrum F-45-833-3
Wiley ID 1169734