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(E)-3-[4'-Hydroxy-3'-(1"-methylcyclohexyl)biphenyl-4-yl]-acrylic Acid

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(E)-3-[4'-Hydroxy-3'-(1"-methylcyclohexyl)biphenyl-4-yl]-acrylic Acid
SpectraBase Compound ID IzqO4HJ1acG
InChI InChI=1S/C22H24O3/c1-22(13-3-2-4-14-22)19-15-18(10-11-20(19)23)17-8-5-16(6-9-17)7-12-21(24)25/h5-12,15,23H,2-4,13-14H2,1H3,(H,24,25)/b12-7+
InChIKey KSYPSTCJMLLTOU-KPKJPENVSA-N
Mol Weight 336.43 g/mol
Molecular Formula C22H24O3
Exact Mass 336.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JufW4LgOHf6
Name (E)-3-[4'-Hydroxy-3'-(1""""-methylcyclohexyl)biphenyl-4-yl]-acrylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.172544630 u
Formula C22H24O3
InChI InChI=1S/C22H24O3/c1-22(13-3-2-4-14-22)19-15-18(10-11-20(19)23)17-8-5-16(6-9-17)7-12-21(24)25/h5-12,15,23H,2-4,13-14H2,1H3,(H,24,25)/b12-7+
InChIKey KSYPSTCJMLLTOU-KPKJPENVSA-N
Molecular Weight 336.431 g/mol
SMILES C1(=CC(C2=CC=C(\C=C\C(=O)O)C=C2)=CC=C1O)C1(C)CCCCC1