2212021-77-5

Name 1H-Indole-2-carboxylic acid, 5-[(4S)-tetrahydro-2,2-dimethyl-2H-pyran-4-yl]-, ethyl ester
CAS 2212021-77-5
Molecular Formula C18H23NO3
Molecular Weight 301.38
MOL File 2212021-77-5.mol
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Chemical Properties

Boiling point  457.5±35.0 °C(Predicted)
density  1.129±0.06 g/cm3(Predicted)
storage temp.  Store at room temperature
pka 15.01±0.30(Predicted)
Appearance White to light yellow Solid
InChI InChI=1S/C18H23NO3/c1-4-21-17(20)16-10-14-9-12(5-6-15(14)19-16)13-7-8-22-18(2,3)11-13/h5-6,9-10,13,19H,4,7-8,11H2,1-3H3/t13-/m0/s1
InChIKey ZXYNOALDDLZUJI-ZDUSSCGKSA-N
SMILES N1C2=C(C=C([C@H]3CCOC(C)(C)C3)C=C2)C=C1C(OCC)=O

Spectrum Detail

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