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1-(4-Methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-B]indole-3-carboxylic acid

View entire compound with spectra: 2 NMR

1-(4-Methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-B]indole-3-carboxylic acid
SpectraBase Compound ID 2rfkw1CubTU
InChI InChI=1S/C19H18N2O2/c1-11-6-8-12(9-7-11)17-18-14(10-16(21-17)19(22)23)13-4-2-3-5-15(13)20-18/h2-9,16-17,20-21H,10H2,1H3,(H,22,23)
InChIKey AATJFFJZXDUIAL-UHFFFAOYSA-N
Mol Weight 306.36 g/mol
Molecular Formula C19H18N2O2
Exact Mass 306.136828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7odGkmZn1ES
Name 1-(4-Methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-B]indole-3-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.136827826 u
Formula C19H18N2O2
InChI InChI=1S/C19H18N2O2/c1-11-6-8-12(9-7-11)17-18-14(10-16(21-17)19(22)23)13-4-2-3-5-15(13)20-18/h2-9,16-17,20-21H,10H2,1H3,(H,22,23)
InChIKey AATJFFJZXDUIAL-UHFFFAOYSA-N
Molecular Weight 306.365 g/mol
SMILES C12=CC=CC=C2C=2CC(C(O)=O)NC(C2N1)C1=CC=C(C)C=C1