(1S)-(+)-3-Carene(498-15-7) IR1
Product Name(1S)-(+)-3-Carene
CAS498-15-7
Molecular FormulaC10H16
Molecular Weight136.23
InChIInChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m1/s1
InChIKey BQOFWKZOCNGFEC-BDAKNGLRSA-N
Smiles[C@]12([H])[C@]([H])(C1(C)C)CC=C(C)C2
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Assign. Shift(ppm)
A 5.23 B 2.62 to 1.41 C 1.60 D *1 1.022 E *1 0.761 F 0.80 to 0.47Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
131.30 543 1 119.56 924 2 28.42 772 3 * 24.93 1000 4 23.63 848 5 20.89 989 6 18.71 859 7 16.90 962 8 # 16.78 859 9 # 13.20 658 10 *Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
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Spectral Code: Raman : 4880 A,200 M,liquid
