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5,5-Diphenylpentanoic acid
SpectraBase Compound ID JZMJ1x3Frih
InChI InChI=1S/C17H18O2/c18-17(19)13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2,(H,18,19)
InChIKey DZMDPQVUGCWAOZ-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C17H18O2
Exact Mass 254.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4L695HqGMeC
Name 5,5-Diphenylpentanoic acid
Comments Computed using HOSE algorithm
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Exact Mass 254.130679818 u
Formula C17H18O2
InChI InChI=1S/C17H18O2/c18-17(19)13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2,(H,18,19)
InChIKey DZMDPQVUGCWAOZ-UHFFFAOYSA-N
Molecular Weight 254.329 g/mol
SMILES C(=O)(O)CCCC(C1=CC=CC=C1)C=1C=CC=CC1