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Methyl 3-(2-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-1H-indole-1-carboxylate

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

Methyl 3-(2-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-1H-indole-1-carboxylate
SpectraBase Compound ID K6PrSNr8Vpg
InChI InChI=1S/C22H29NO4/c1-14(2)17-10-9-15(3)11-20(17)27-21(24)12-16-13-23(22(25)26-4)19-8-6-5-7-18(16)19/h5-8,13-15,17,20H,9-12H2,1-4H3/t15-,17+,20-/m1/s1
InChIKey DGJVRKAJUJSBQC-OXFYSEKESA-N
Mol Weight 371.48 g/mol
Molecular Formula C22H29NO4
Exact Mass 371.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9kiWhbWdCpl
Name Methyl 3-(2-((1R,2S,5R)-2-isopropyl-5-methylcyclohexyloxy)-2-oxoethyl)-1H-indole-1-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.209658414 u
Formula C22H29NO4
InChI InChI=1S/C22H29NO4/c1-14(2)17-10-9-15(3)11-20(17)27-21(24)12-16-13-23(22(25)26-4)19-8-6-5-7-18(16)19/h5-8,13-15,17,20H,9-12H2,1-4H3/t15-,17+,20-/m1/s1
InChIKey DGJVRKAJUJSBQC-OXFYSEKESA-N
Molecular Weight 371.477 g/mol
SMILES C=1N(C=2C(C1CC(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O)=CC=CC2)C(=O)OC