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2212021-77-5

2212021-77-5 Structure

2212021-77-5 Structure
IdentificationBack Directory
[Name]

1H-Indole-2-carboxylic acid, 5-[(4S)-tetrahydro-2,2-dimethyl-2H-pyran-4-yl]-, ethyl ester
[CAS]

2212021-77-5
[Synonyms]

(S)-ethyl-5-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-1H-indole-2-carboxylate
Ethyl (S)-5-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-1H-indole-2-carboxylate
1H-Indole-2-carboxylic acid, 5-[(4S)-tetrahydro-2,2-dimethyl-2H-pyran-4-yl]-, ethyl ester
[Molecular Formula]

C18H23NO3
[MOL File]

2212021-77-5.mol
[Molecular Weight]

301.38
Chemical PropertiesBack Directory
[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 DetailBack Directory
[Spectrum Detail]

1H-Indole-2-carboxylic acid, 5-[(4S)-tetrahydro-2,2-dimethyl-2H-pyran-4-yl]-, ethyl ester(2212021-77-5)1HNMR
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