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Propanedioic acid, (iodomethyl)methyl-, bis(2-naphthalenylmethyl) ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Propanedioic acid, (iodomethyl)methyl-, bis(2-naphthalenylmethyl) ester
SpectraBase Compound ID 1ZeHOgXZE7i
InChI InChI=1S/C27H23IO4/c1-27(18-28,25(29)31-16-19-10-12-21-6-2-4-8-23(21)14-19)26(30)32-17-20-11-13-22-7-3-5-9-24(22)15-20/h2-15H,16-18H2,1H3
InChIKey BXYDMSDARLJTRA-UHFFFAOYSA-N
Mol Weight 538.38 g/mol
Molecular Formula C27H23IO4
Exact Mass 538.064104 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4EBmZKApUO8
Name Propanedioic acid, (iodomethyl)methyl-, bis(2-naphthalenylmethyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 538.064104217 u
Formula C27H23IO4
InChI InChI=1S/C27H23IO4/c1-27(18-28,25(29)31-16-19-10-12-21-6-2-4-8-23(21)14-19)26(30)32-17-20-11-13-22-7-3-5-9-24(22)15-20/h2-15H,16-18H2,1H3
InChIKey BXYDMSDARLJTRA-UHFFFAOYSA-N
Molecular Weight 538.381 g/mol
SMILES C(C(OCC=1C=C2C=CC=CC2=CC1)=O)(C(OCC=1C=C2C=CC=CC2=CC1)=O)(CI)C