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2-(Hydroxymethyl)-2-methyl-1,3-propanediol, tribenzoate

View entire compound with spectra: 2 NMR, and 2 FTIR

2-(Hydroxymethyl)-2-methyl-1,3-propanediol, tribenzoate
SpectraBase Compound ID JiOxrgvPAgV
InChI InChI=1S/C26H24O6/c1-26(17-30-23(27)20-11-5-2-6-12-20,18-31-24(28)21-13-7-3-8-14-21)19-32-25(29)22-15-9-4-10-16-22/h2-16H,17-19H2,1H3
InChIKey PJLLCGNQPWXWGL-UHFFFAOYSA-N
Mol Weight 432.47 g/mol
Molecular Formula C26H24O6
Exact Mass 432.157288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2aZMlMtm0xh
Name 2-(Hydroxymethyl)-2-methyl-1,3-propanediol, tribenzoate
Comments Computed using HOSE algorithm
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Exact Mass 432.157288487 u
Formula C26H24O6
InChI InChI=1S/C26H24O6/c1-26(17-30-23(27)20-11-5-2-6-12-20,18-31-24(28)21-13-7-3-8-14-21)19-32-25(29)22-15-9-4-10-16-22/h2-16H,17-19H2,1H3
InChIKey PJLLCGNQPWXWGL-UHFFFAOYSA-N
Molecular Weight 432.472 g/mol
SMILES C=1C(=CC=CC1)C(OCC(COC(C=1C=CC=CC1)=O)(COC(=O)C=1C=CC=CC1)C)=O