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Benzoic acid, 4-(2-propenyloxy)-, ester with 1,4-cyclohexanediol (2:1)

View entire compound with spectra: 1 NMR

Benzoic acid, 4-(2-propenyloxy)-, ester with 1,4-cyclohexanediol (2:1)
SpectraBase Compound ID IOhpVkBhEUU
InChI InChI=1S/C26H28O6/c1-3-17-29-21-9-5-19(6-10-21)25(27)31-23-13-15-24(16-14-23)32-26(28)20-7-11-22(12-8-20)30-18-4-2/h3-12,23-24H,1-2,13-18H2
InChIKey BDSRRRMFEZJKNV-UHFFFAOYSA-N
Mol Weight 436.5 g/mol
Molecular Formula C26H28O6
Exact Mass 436.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1k82QoBOT1t
Name Benzoic acid, 4-(2-propenyloxy)-, ester with 1,4-cyclohexanediol (2:1)
Comments Computed using HOSE algorithm
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Exact Mass 436.188588616 u
Formula C26H28O6
InChI InChI=1S/C26H28O6/c1-3-17-29-21-9-5-19(6-10-21)25(27)31-23-13-15-24(16-14-23)32-26(28)20-7-11-22(12-8-20)30-18-4-2/h3-12,23-24H,1-2,13-18H2
InChIKey BDSRRRMFEZJKNV-UHFFFAOYSA-N
Molecular Weight 436.504 g/mol
SMILES C1CC(CCC1OC(=O)C1=CC=C(OCC=C)C=C1)OC(=O)C1=CC=C(OCC=C)C=C1