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1-(1-Heptyl-1H-indol-3-yl)-3,3,4-trimethylpent-4-en-1-one

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

1-(1-Heptyl-1H-indol-3-yl)-3,3,4-trimethylpent-4-en-1-one
SpectraBase Compound ID 9IaOpBJkmEB
InChI InChI=1S/C23H33NO/c1-6-7-8-9-12-15-24-17-20(19-13-10-11-14-21(19)24)22(25)16-23(4,5)18(2)3/h10-11,13-14,17H,2,6-9,12,15-16H2,1,3-5H3
InChIKey UPHXBLTYASBCIV-UHFFFAOYSA-N
Mol Weight 339.5 g/mol
Molecular Formula C23H33NO
Exact Mass 339.256215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQDe7lQRFUc
Name 1-(1-Heptyl-1H-indol-3-yl)-3,3,4-trimethylpent-4-en-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.256214686 u
Formula C23H33NO
InChI InChI=1S/C23H33NO/c1-6-7-8-9-12-15-24-17-20(19-13-10-11-14-21(19)24)22(25)16-23(4,5)18(2)3/h10-11,13-14,17H,2,6-9,12,15-16H2,1,3-5H3
InChIKey UPHXBLTYASBCIV-UHFFFAOYSA-N
Molecular Weight 339.523 g/mol
SMILES C(CC(C(=C)C)(C)C)(=O)C1=CN(C=2C=CC=CC12)CCCCCCC