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Isatoic anhydride

View entire compound with spectra: 9 NMR, 7 FTIR, 3 UV-Vis, and 5 MS (GC)

Isatoic anhydride
SpectraBase Compound ID 1WoTQDwaUCr
InChI InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11)
InChIKey TXJUTRJFNRYTHH-UHFFFAOYSA-N
Mol Weight 163.13 g/mol
Molecular Formula C8H5NO3
Exact Mass 163.026943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2l2pMCGcSAe
Name 1H-3,1-benzoxazine-2,4-dione
Alternate Name(s) Isatoic anhydride 1H-3,1-benzoxazine-2,4-quinone 2H-3,1-Benzoxazine-2,4(1H)-dione Anthranilic acid, N-carboxy-, cyclic anhydride Benzoic acid, 2-(carboxyamino)-, cyclic anhydride Isato acid anhydride Isatoic acid anhydride
CAS Registry Number 118-48-9
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Formula C8H5NO3
InChI InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11)
InChIKey TXJUTRJFNRYTHH-UHFFFAOYSA-N
Molecular Weight 163.132 g/mol
SMILES N1c2c(C(OC1=O)=O)cccc2
SPLASH splash10-02tc-9500000000-c322ced6538e5cb00b7b
Wiley ID 1491788