3-NITROSALICYLIC ACID SODIUM SALT(164915-53-1) IR1
Product Name3-NITROSALICYLIC ACID SODIUM SALT
CAS164915-53-1
Molecular FormulaC7H4NNaO5
Molecular Weight205.1
InChIInChI=1S/C7H5NO5.Na/c9-6-4(7(10)11)2-1-3-5(6)8(12)13;/h1-3,9H,(H,10,11);/q;+1/p-1
InChIKey DLXOJVOMIITILS-UHFFFAOYSA-M
SmilesC1(=CC=CC([N+]([O-])=O)=C1O)C([O-])=O.[Na+]
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H4 N Na O5 0.039 g : 0.5 ml DMSO-d6 sodium 3-nitrosalicylate 
Assign. Shift(ppm)
A 18.8 B 8.014 C 7.917 D 6.591
Hz ppm Int.7507.81 18.786 1000 3207.52 8.026 438 3205.57 8.021 488 3199.95 8.007 405 3198.24 8.003 430 3194.34 7.993 27 3169.43 7.931 432 3167.48 7.926 405 3164.31 7.918 37 3161.13 7.910 465 3159.18 7.905 415 2642.09 6.612 424 2634.52 6.593 487 2634.03 6.591 502 2630.13 6.582 34 2629.15 6.579 32 2626.46 6.572 402
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1H NMR 89.56 MHz C7 H4 N Na O5 0.039 g : 0.5 ml DMSO-d6 sodium 3-nitrosalicylate Assign. Shift(ppm)
A 7.993 B 7.904 C 6.576
Hz ppm Int.721.25 8.054 437 719.31 8.032 693 717.00 8.006 44 716.25 7.998 35 715.63 7.991 33 713.88 7.971 514 711.94 7.950 1000 710.38 7.932 527 707.38 7.899 42 706.75 7.892 37 704.13 7.863 782 702.19 7.841 508 596.25 6.658 621 588.81 6.575 646 588.06 6.567 588 580.63 6.484 482
in DMSO-d6
KBr disc
nujol mull
