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dimethyl(R)-(-)-2-(4-benzyloxy-3-methoxyphenyl)-4-oxo-4-phenyl-1,1-butanedicarboxylate

View entire compound with spectra: 1 MS (GC)

dimethyl(R)-(-)-2-(4-benzyloxy-3-methoxyphenyl)-4-oxo-4-phenyl-1,1-butanedicarboxylate
SpectraBase Compound ID Gs2NU0Pb9Es
InChI InChI=1S/C28H28O7/c1-32-25-16-21(14-15-24(25)35-18-19-10-6-4-7-11-19)22(26(27(30)33-2)28(31)34-3)17-23(29)20-12-8-5-9-13-20/h4-16,22,26H,17-18H2,1-3H3/t22-/m0/s1
InChIKey HZHPIVJHSXPYPH-QFIPXVFZSA-N
Mol Weight 476.53 g/mol
Molecular Formula C28H28O7
Exact Mass 476.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FoqX7AolLuz
Name dimethyl(R)-(-)-2-(4-benzyloxy-3-methoxyphenyl)-4-oxo-4-phenyl-1,1-butanedicarboxylate
Alternate Name(s) dimethyl 2-{(1R)-1-[4-(benzyloxy)-3-methoxyphenyl]-3-oxo-3-phenylpropyl}malonate
CAS Registry Number 109012-85-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28O7
InChI InChI=1S/C28H28O7/c1-32-25-16-21(14-15-24(25)35-18-19-10-6-4-7-11-19)22(26(27(30)33-2)28(31)34-3)17-23(29)20-12-8-5-9-13-20/h4-16,22,26H,17-18H2,1-3H3/t22-/m0/s1
InChIKey HZHPIVJHSXPYPH-QFIPXVFZSA-N
Molecular Weight 476.525 g/mol
SMILES C([C@@](CC(=O)c1ccccc1)(c1cc(OC)c(cc1)OCc1ccccc1)[H])(C(=O)OC)C(=O)OC
SPLASH splash10-0a4i-0900200000-6b1d985fdbe6809c64e6
Source of Spectrum K-120-1734-0
Wiley ID 1394376