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5,7-Dinitro-2,3-dihydroindole-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID GAzYMTIxc7o
InChI InChI=1S/C13H15N3O6/c1-13(2,3)22-12(17)14-5-4-8-6-9(15(18)19)7-10(11(8)14)16(20)21/h6-7H,4-5H2,1-3H3
InChIKey SCUMANQXFZICKB-UHFFFAOYSA-N
Mol Weight 309.28 g/mol
Molecular Formula C13H15N3O6
Exact Mass 309.096085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KvHajv1KWn
Name 5,7-Dinitro-2,3-dihydroindole-1-carboxylic acid tert-butyl ester
Alternate Name(s) 5,7-Dinitroindoline-1-carboxylic acid tert-butyl ester tert-Butyl 5,7-dinitro-2,3-dihydroindole-1-carboxylate tert-Butyl 5,7-dinitroindoline-1-carboxylate
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Formula C13H15N3O6
InChI InChI=1S/C13H15N3O6/c1-13(2,3)22-12(17)14-5-4-8-6-9(15(18)19)7-10(11(8)14)16(20)21/h6-7H,4-5H2,1-3H3
InChIKey SCUMANQXFZICKB-UHFFFAOYSA-N
Molecular Weight 309.278 g/mol
SMILES C1N(c2c(cc(cc2C1)N(=O)=O)N(=O)=O)C(=O)OC(C)(C)C
SPLASH splash10-0a4i-9020000000-a40a16098d08fa1c5c84
Source of Spectrum F-68-2485-4
Wiley ID 1572096