HYOSCYAMINE HYDROCHLORIDE(5934-50-9) 13C NMR
Product NameHYOSCYAMINE HYDROCHLORIDE
CAS5934-50-9
Molecular FormulaC17H24ClNO3
Molecular Weight325.83
InChIInChI=1/C17H23NO3.ClH/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;/h2-6,13-16,19H,7-11H2,1H3;1H/t13-,14+,15+,16-;/s3
InChIKey OJIPQOWZZMSBGY-YFSVKQOSNA-N
SmilesO([C@H]1C[C@H]2CC[C@H](N2C)C1)C(=O)[C@@H](C1C=CC=CC=1)CO.Cl |&1:1,3,6,12,r|
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Assign. Shift(ppm)
A 7.341 B 7.29 C 7.27 D 5.126 E *1 4.189 F *1 3.85 G *2 3.728 J *2 3.595 K 3.47 L *3 2.96 M *3 2.87 N 2.671 P *4 2.15 Q *4 2.07 R *5 2.004 S *4 1.87 T *5 1.800 U *4 1.544Spectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
171.69 678 1 135.56 567 2 129.00 1000 3 128.07 956 4 127.92 494 5 64.93 322 6 63.70 311 7 62.21 361 8 * 62.13 361 9 * 54.43 439 10 39.11 311 11 34.40 239 12 # 34.25 239 13 # 24.08 211 14 *1 23.63 189 15 *1Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc
