Sodium N-cyclohexylsulfamate(139-05-9) 13C NMR
Product NameSodium N-cyclohexylsulfamate
CAS139-05-9
Molecular FormulaC6H14NNaO3S
Molecular Weight203.23
InChIInChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1
InChIKey UDIPTWFVPPPURJ-UHFFFAOYSA-M
SmilesC1(CCCCC1)NS(=O)(=O)[O-].[Na+]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C6 H12 N Na O3 S saturated in DMSO-d6 sodium cyclohexylsulfamate 
Assign. Shift(ppm)
A 4.02 B 2.967 C 1.897 D 1.614 E 1.494 F 1.195 G 1.05 ASSIGNED BY H-H COSY
Hz ppm Int.1619.75 4.053 30 1619.14 4.052 35 1618.77 4.051 37 1618.29 4.050 41 1617.55 4.048 45 1610.23 4.030 726 1604.37 4.015 723 1597.78 3.998 46 1597.41 3.998 45 1596.44 3.995 36 1595.46 3.993 30 1595.21 3.992 30 1158.20 2.899 299 1154.30 2.889 372 1152.22 2.884 297 1151.73 2.882 299 1150.63 2.880 275 1150.02 2.878 271 1148.32 2.874 396 1144.04 2.863 303 764.04 1.912 637 754.27 1.888 658 657.10 1.645 452 656.86 1.644 452 653.32 1.635 629 652.95 1.634 629 649.29 1.625 556 644.17 1.612 624 640.38 1.603 777 637.94 1.597 542 637.57 1.596 547 637.21 1.595 545 604.61 1.513 325 600.71 1.504 280 600.22 1.502 275 596.68 1.494 307 595.83 1.491 301 595.46 1.490 301 592.41 1.483 367 490.60 1.228 205 481.93 1.206 393 478.64 1.198 634 469.36 1.175 509 466.80 1.169 795 463.99 1.161 523 457.03 1.144 320 454.22 1.137 529 451.54 1.130 330 448.61 1.123 97 446.17 1.117 206 445.56 1.115 205 443.24 1.110 342 440.43 1.103 225 431.76 1.081 775 430.05 1.077 536 429.57 1.075 552 429.08 1.074 555 419.92 1.051 1000 408.57 1.023 631 407.23 1.019 656 397.95 0.996 215 397.58 0.995 212 394.41 0.987 206
in DMSO-d6
KBr disc
nujol mull
