1772-76-5

3-NITROCINNAMIC ACID(1772-76-5) IR1

Product Name3-NITROCINNAMIC ACID

CAS 1772-76-5

Molecular FormulaC9H7NO4

Molecular Weight193.16

InChIInChI=1S/C9H7NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6H,(H,11,12)/b5-4+

InChIKey WWXMVRYHLZMQIG-SNAWJCMRSA-N

SmilesC(O)(=O)/C=C/C1=CC=CC([N+]([O-])=O)=C1

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¹HNMR

¹³CNMR

IR1

3-NITROCINNAMIC ACID(1772-76-5) IR1

    Assign.     Shift(ppm)

      A            13.
      B             8.517
      C             8.243
      D             8.187
      E             7.732
      F             7.72
      G             6.755
     
     J(E,G)=16.0HZ

Spectral Code: 1H NMR : 400 MHz in DMSO-d6

3-NITROCINNAMIC ACID(1772-76-5) IR1

       ppm   Int.  Assign.

       167.11  1000     1
       148.26   557     2
       141.39   846     3
       136.12   897     4
       133.97   711     5
       130.28   794     6
       124.31   525     7
       122.74   673     8 *
       122.27   910     9 *

Spectral Code: 13C NMR : DMSO-d6

Spectral Code: IR : nujol mull

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