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Indole-3-carboxylic acid, 5-hydroxy-2-methyl-1-(2-methylpropyl)-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Indole-3-carboxylic acid, 5-hydroxy-2-methyl-1-(2-methylpropyl)-, ethyl ester
SpectraBase Compound ID AUrX661cXvb
InChI InChI=1S/C16H21NO3/c1-5-20-16(19)15-11(4)17(9-10(2)3)14-7-6-12(18)8-13(14)15/h6-8,10,18H,5,9H2,1-4H3
InChIKey WIVRHTPQXBZLGI-UHFFFAOYSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BcbyO3Jj6PO
Name Indole-3-carboxylic acid, 5-hydroxy-2-methyl-1-(2-methylpropyl)-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.152143537 u
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-5-20-16(19)15-11(4)17(9-10(2)3)14-7-6-12(18)8-13(14)15/h6-8,10,18H,5,9H2,1-4H3
InChIKey WIVRHTPQXBZLGI-UHFFFAOYSA-N
Molecular Weight 275.348 g/mol
SMILES C1(=C(N(CC(C)C)C2=C1C=C(O)C=C2)C)C(=O)OCC