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1-Benzyl 2-(1-ethylhexyl) phthalate

View entire compound with spectra: 1 NMR

1-Benzyl 2-(1-ethylhexyl) phthalate
SpectraBase Compound ID DmL7LrFy8XR
InChI InChI=1S/C23H28O4/c1-3-5-7-14-19(4-2)27-23(25)21-16-11-10-15-20(21)22(24)26-17-18-12-8-6-9-13-18/h6,8-13,15-16,19H,3-5,7,14,17H2,1-2H3
InChIKey AMJMHZXMMFYORT-UHFFFAOYSA-N
Mol Weight 368.47 g/mol
Molecular Formula C23H28O4
Exact Mass 368.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JvSr00n6Mxl
Name 1-Benzyl 2-(1-ethylhexyl) phthalate
Comments Computed using HOSE algorithm
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Exact Mass 368.198759378 u
Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-3-5-7-14-19(4-2)27-23(25)21-16-11-10-15-20(21)22(24)26-17-18-12-8-6-9-13-18/h6,8-13,15-16,19H,3-5,7,14,17H2,1-2H3
InChIKey AMJMHZXMMFYORT-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES C(C1=C(C(=O)OCC2=CC=CC=C2)C=CC=C1)(=O)OC(CC)CCCCC