127514-62-9

Name Hydroxyl-γ-isosanshool
CAS 127514-62-9
Molecular Formula C18H27NO2
MDL Number MFCD32200999
Molecular Weight 289.41
MOL File 127514-62-9.mol
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Chemical Properties

Boiling point  505.9±50.0 °C(Predicted)
density  0.973±0.06 g/cm3(Predicted)
pka 14.55±0.29(Predicted)
InChI InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+
InChIKey CRPPMKFSMRODIQ-FMBIJHKPSA-N
SMILES C(NCC(O)(C)C)(=O)/C=C/C=C/CC/C=C/C=C/C=C/C

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