P-TOLUENESULFONYL-L-ARGININE METHYL ESTER HCL(901-47-3) 13C NMR
Product NameP-TOLUENESULFONYL-L-ARGININE METHYL ESTER HCL
CAS901-47-3
Molecular FormulaC14H22N4O4S
Molecular Weight342.41
InChIInChI=1S/C14H22N4O4S/c1-10-5-7-11(8-6-10)23(20,21)18-12(13(19)22-2)4-3-9-17-14(15)16/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17)/t12-/m0/s1
InChIKey FKMJXALNHKIDOD-LBPRGKRZSA-N
SmilesC(OC)(=O)[C@H](CCCNC(N)=N)NS(C1=CC=C(C)C=C1)(=O)=O
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Assign. Shift(ppm)
A 8.34 B 7.86 C 7.646 D *1 7.4 E 7.384 F *1 7.1 G 3.752 J 3.384 K 3.030 L 2.382 M *2 1.62 N *2 1.55 P *3 1.45 Q *3 1.36 ASSIGNED BY H-H AND C-H COSY. J(A,G)=8.7HZ J(B,K)=5.5HZSpectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
171.45 618 1 156.92 604 2 142.67 514 3 137.84 524 4 129.39 1000 5 126.42 979 6 55.19 382 7 51.74 485 8 39.65 282 9 28.81 309 10 24.73 326 11 20.94 480 12 CONFIRMED BY C-H COSY.Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : nujol mull
