MECLOFENAMATE SODIUM(6385-02-0) IR1
Product NameMECLOFENAMATE SODIUM
CAS6385-02-0
Molecular FormulaC14H10Cl2NO2.Na
Molecular Weight318.13
InChIInChI=1S/C14H11Cl2NO2.Na/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19;/h2-7,17H,1H3,(H,18,19);/q;+1/p-1
InChIKey OGPIIGMUPMPMNT-UHFFFAOYSA-M
SmilesC1(=C(Cl)C=CC(C)=C1Cl)NC1C=CC=CC=1C([O-])=O.[Na+]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C14 H10 Cl2 N Na O2 0.036 g : 0.5 ml DMSO-d6 sodium o-(2,6-dichloro-3-methylanilino)benzoate 
Assign. Shift(ppm)
A 11.7 B 7.936 C 7.428 D 7.218 E 7.027 F 6.605 G 6.068 J 3.457
Hz ppm Int.4661.95 11.666 162 3176.47 7.949 79 3174.64 7.944 86 3168.78 7.929 86 3167.13 7.925 85 2973.16 7.440 137 2964.92 7.419 166 2888.54 7.228 119 2880.11 7.207 98 2817.47 7.050 41 2815.64 7.046 44 2808.68 7.028 71 2807.76 7.026 62 2802.08 7.012 47 2800.43 7.008 48 2647.49 6.625 52 2646.39 6.622 57 2639.25 6.604 93 2632.84 6.588 47 2631.74 6.586 51 2428.24 6.076 103 2420.91 6.058 94 2420.18 6.056 97 1381.99 3.459 1000
in DMSO-d6
KBr disc
nujol mull
