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Ethyl 2-phenyl-1,4,5,6-tetrahydro-7H-indol-7-oxo-1-(2'-methyl)acetate

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Ethyl 2-phenyl-1,4,5,6-tetrahydro-7H-indol-7-oxo-1-(2'-methyl)acetate
SpectraBase Compound ID HAcVaAqGun2
InChI InChI=1S/C19H21NO3/c1-3-23-19(22)13(2)20-16(14-8-5-4-6-9-14)12-15-10-7-11-17(21)18(15)20/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3
InChIKey ROVBKVOJAFWAOJ-UHFFFAOYSA-N
Mol Weight 311.38 g/mol
Molecular Formula C19H21NO3
Exact Mass 311.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E1NksjPeIl3
Name Ethyl 2-phenyl-1,4,5,6-tetrahydro-7H-indol-7-oxo-1-(2'-methyl)acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.152143537 u
Formula C19H21NO3
InChI InChI=1S/C19H21NO3/c1-3-23-19(22)13(2)20-16(14-8-5-4-6-9-14)12-15-10-7-11-17(21)18(15)20/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3
InChIKey ROVBKVOJAFWAOJ-UHFFFAOYSA-N
Molecular Weight 311.381 g/mol
SMILES C=1(N(C2=C(C1)CCCC2=O)C(C(=O)OCC)C)C=1C=CC=CC1