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5-Hydroxy-2-methyl-1-[2-(2,4,6-trimethylphenoxy)ethyl]-3-indolecarboxylic acid methyl ester
SpectraBase Compound ID GalMFAMi2am
InChI InChI=1S/C22H25NO4/c1-13-10-14(2)21(15(3)11-13)27-9-8-23-16(4)20(22(25)26-5)18-12-17(24)6-7-19(18)23/h6-7,10-12,24H,8-9H2,1-5H3
InChIKey LDCKINYWTQWVHS-UHFFFAOYSA-N
Mol Weight 367.45 g/mol
Molecular Formula C22H25NO4
Exact Mass 367.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6CFOnCaJ5zs
Name 5-Hydroxy-2-methyl-1-[2-(2,4,6-trimethylphenoxy)ethyl]-3-indolecarboxylic acid methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 367.178358285 u
Formula C22H25NO4
InChI InChI=1S/C22H25NO4/c1-13-10-14(2)21(15(3)11-13)27-9-8-23-16(4)20(22(25)26-5)18-12-17(24)6-7-19(18)23/h6-7,10-12,24H,8-9H2,1-5H3
InChIKey LDCKINYWTQWVHS-UHFFFAOYSA-N
Molecular Weight 367.445 g/mol
SMILES C1(=C(N(CCOC2=C(C=C(C=C2C)C)C)C2=C1C=C(C=C2)O)C)C(=O)OC