HOMATROPINE(87-00-3) IR1
Molecular FormulaC16H21NO3
Molecular Weight275.34
InChIInChI=1/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14+,15?
InChIKey ZTVIKZXZYLEVOL-MCOXGKPRNA-N
Smiles[C@@H]1(OC(=O)C(O)C2C=CC=CC=2)C[C@@]2([H])N(C)[C@]([H])(CC2)C1 |&1:0,13,17,r|
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![](https://www.chemicalbook.com/Spectrum/87-00-3_1HNMR_0.jpg)
Assign. Shift(ppm)
A 7.40
B 7.36
C 7.320
D 5.086
E 4.996
F 4.5
G *1 3.043
J *1 2.885
K 2.171
L *2 2.13
M *2 2.017
N *3 1.87
P *3 1.73
Q *4 1.69
R *3 1.67
S *4 1.403
T *3 0.989
Spectral Code: 1H NMR : 400 MHz in CDCl3
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![](https://www.chemicalbook.com/Spectrum/87-00-3_13CNMR_0.jpg)
ppm Int. Assign.
172.71 502 1
138.73 498 2
128.58 1000 3
128.43 498 4
126.77 955 5
73.38 517 6
69.23 493 7
59.52 512 8 *
59.42 478 9 *
40.05 343 10
36.10 328 11 #
35.96 338 12 #
25.36 338 13 *1
24.75 328 14 *1
Spectral Code: 13C NMR : in CDCl3
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![](https://www.chemicalbook.com/Spectrum/87-00-3_IR1_0.jpg)
Spectral Code: IR : KBr disc
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![](https://www.chemicalbook.com/Spectrum/87-00-3_Raman_0.jpg)
Spectral Code: Raman : 4880 A,200 M,powder