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2-[2-(2-methyl-1H-indol-3-yl)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

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

2-[2-(2-methyl-1H-indol-3-yl)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 1XnfW8tObFA
InChI InChI=1S/C19H20N2O2/c1-12-13(14-6-4-5-9-17(14)20-12)10-11-21-18(22)15-7-2-3-8-16(15)19(21)23/h2-6,9,15-16,20H,7-8,10-11H2,1H3
InChIKey XAQLXKLZGXHFCF-UHFFFAOYSA-N
Mol Weight 308.38 g/mol
Molecular Formula C19H20N2O2
Exact Mass 308.152478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CTPf9JaDMD9
Name 2-[2-(2-Methyl-1H-indol-3-yl)ethyl]-3A,4,7,7A-tetrahydro-1H-isoindole-1,3(2H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.152477890 u
Formula C19H20N2O2
InChI InChI=1S/C19H20N2O2/c1-12-13(14-6-4-5-9-17(14)20-12)10-11-21-18(22)15-7-2-3-8-16(15)19(21)23/h2-6,9,15-16,20H,7-8,10-11H2,1H3
InChIKey XAQLXKLZGXHFCF-UHFFFAOYSA-N
Molecular Weight 308.381 g/mol
SMILES C12C(N(CCC=3C4=C(NC3C)C=CC=C4)C(=O)C2CC=CC1)=O