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Cyclohex-3-enecarboxylic acid, 6-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]-
SpectraBase Compound ID JLDtXZI0NT1
InChI InChI=1S/C19H22N2O3/c1-12-13(14-6-4-5-9-17(14)21-12)10-11-20-18(22)15-7-2-3-8-16(15)19(23)24/h2-6,9,15-16,21H,7-8,10-11H2,1H3,(H,20,22)(H,23,24)
InChIKey BWNVJRYTHVWIGP-UHFFFAOYSA-N
Mol Weight 326.4 g/mol
Molecular Formula C19H22N2O3
Exact Mass 326.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KbL0CdNKiu7
Name Cyclohex-3-enecarboxylic acid, 6-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]-
Comments Computed using HOSE algorithm
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Exact Mass 326.163042573 u
Formula C19H22N2O3
InChI InChI=1S/C19H22N2O3/c1-12-13(14-6-4-5-9-17(14)21-12)10-11-20-18(22)15-7-2-3-8-16(15)19(23)24/h2-6,9,15-16,21H,7-8,10-11H2,1H3,(H,20,22)(H,23,24)
InChIKey BWNVJRYTHVWIGP-UHFFFAOYSA-N
Molecular Weight 326.396 g/mol
SMILES C1(C(NCCC2=C(C)NC3=C2C=CC=C3)=O)C(C(=O)O)CC=CC1