2-Nitro-1,3-indandione(3674-33-7) IR1

Product Name2-Nitro-1,3-indandione

CAS 3674-33-7

Molecular FormulaC9H5NO4

Molecular Weight191.14

InChIInChI=1S/C9H5NO4/c11-8-5-3-1-2-4-6(5)9(12)7(8)10(13)14/h1-4,7H

InChIKey CJGMVHVKJXBIDT-UHFFFAOYSA-N

SmilesC1(=O)C2=C(C=CC=C2)C(=O)C1[N+]([O-])=O

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¹³CNMR

IR1

2-Nitro-1,3-indandione(3674-33-7) IR1

       ppm   Int.  Assign.

       181.61   129     1
       136.57   258     2
       132.18   820     3
       120.08  1000     4
     
     signal of carbon attached by NO2 not found

Spectral Code: 13C NMR : DMSO-d6

Spectral Code: IR : KBr disc

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