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4-keto-4-[3-nitrooxy-2,2-bis(nitrooxymethyl)propoxy]butyric acid
SpectraBase Compound ID LbKg1R5BVE9
InChI InChI=1S/C9H13N3O13/c13-7(14)1-2-8(15)22-3-9(4-23-10(16)17,5-24-11(18)19)6-25-12(20)21/h1-6H2,(H,13,14)
InChIKey QMGKISUKMROZJY-UHFFFAOYSA-N
Mol Weight 371.21 g/mol
Molecular Formula C9H13N3O13
Exact Mass 371.044837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HT2KO02HI6
Name 4-keto-4-[3-nitrooxy-2,2-bis(nitrooxymethyl)propoxy]butyric acid
Alternate Name(s) 4-[3-nitrooxy-2,2-bis(nitrooxymethyl)propoxy]-4-oxidanylidene-butanoic acid 4-[3-nitrooxy-2,2-bis(nitrooxymethyl)propoxy]-4-oxobutanoic acid
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Formula C9H13N3O13
InChI InChI=1S/C9H13N3O13/c13-7(14)1-2-8(15)22-3-9(4-23-10(16)17,5-24-11(18)19)6-25-12(20)21/h1-6H2,(H,13,14)
InChIKey QMGKISUKMROZJY-UHFFFAOYSA-N
Molecular Weight 371.211 g/mol
SMILES OC(CCC(OCC(CON(=O)=O)(CON(=O)=O)CON(=O)=O)=O)=O
SPLASH splash10-0pb9-0093000000-348c06c377e9fd84036a
Source of Spectrum KC-0-228-7
Wiley ID 829951