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4-(3,4-Didecyloxyphenyl)benzoic acid

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4-(3,4-Didecyloxyphenyl)benzoic acid
SpectraBase Compound ID GP5IKUPNudB
InChI InChI=1S/C33H50O4/c1-3-5-7-9-11-13-15-17-25-36-31-24-23-30(28-19-21-29(22-20-28)33(34)35)27-32(31)37-26-18-16-14-12-10-8-6-4-2/h19-24,27H,3-18,25-26H2,1-2H3,(H,34,35)
InChIKey DRLCVQAUAOVFSD-UHFFFAOYSA-N
Mol Weight 510.8 g/mol
Molecular Formula C33H50O4
Exact Mass 510.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CvZHLeQWE7Q
Name 4-(3,4-Didecyloxyphenyl)benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.370910086 u
Formula C33H50O4
InChI InChI=1S/C33H50O4/c1-3-5-7-9-11-13-15-17-25-36-31-24-23-30(28-19-21-29(22-20-28)33(34)35)27-32(31)37-26-18-16-14-12-10-8-6-4-2/h19-24,27H,3-18,25-26H2,1-2H3,(H,34,35)
InChIKey DRLCVQAUAOVFSD-UHFFFAOYSA-N
Molecular Weight 510.759 g/mol
SMILES C(C=1C=CC(=CC1)C=1C=C(C(=CC1)OCCCCCCCCCC)OCCCCCCCCCC)(=O)O