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Acetic acid, (4-benzyloxyphenyl)phenylhydroxy-, 1-methylpiperidin-4-yl ester
SpectraBase Compound ID IKnvRNfeiTr
InChI InChI=1S/C27H29NO4/c1-28-18-16-25(17-19-28)32-26(29)27(30,22-10-6-3-7-11-22)23-12-14-24(15-13-23)31-20-21-8-4-2-5-9-21/h2-15,25,30H,16-20H2,1H3
InChIKey WLIFKAIKYMFZSB-UHFFFAOYSA-N
Mol Weight 431.53 g/mol
Molecular Formula C27H29NO4
Exact Mass 431.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JGgb7XMkFMz
Name Acetic acid, (4-benzyloxyphenyl)phenylhydroxy-, 1-methylpiperidin-4-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 431.209658414 u
Formula C27H29NO4
InChI InChI=1S/C27H29NO4/c1-28-18-16-25(17-19-28)32-26(29)27(30,22-10-6-3-7-11-22)23-12-14-24(15-13-23)31-20-21-8-4-2-5-9-21/h2-15,25,30H,16-20H2,1H3
InChIKey WLIFKAIKYMFZSB-UHFFFAOYSA-N
Molecular Weight 431.532 g/mol
SMILES C1=C(C=CC(=C1)OCC1=CC=CC=C1)C(O)(C1=CC=CC=C1)C(OC1CCN(CC1)C)=O