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Phthalic acid, cyclohexylmethyl phenyl ester

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Phthalic acid, cyclohexylmethyl phenyl ester
SpectraBase Compound ID A7seGhszda0
InChI InChI=1S/C21H22O4/c22-20(24-15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)21(23)25-17-11-5-2-6-12-17/h2,5-8,11-14,16H,1,3-4,9-10,15H2
InChIKey VCLUSWJNSREHSS-UHFFFAOYSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9HgoyATz1jg
Name Phthalic acid, cyclohexylmethyl phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 338.151809184 u
Formula C21H22O4
InChI InChI=1S/C21H22O4/c22-20(24-15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)21(23)25-17-11-5-2-6-12-17/h2,5-8,11-14,16H,1,3-4,9-10,15H2
InChIKey VCLUSWJNSREHSS-UHFFFAOYSA-N
Molecular Weight 338.403 g/mol
SMILES C1(=C(C=CC=C1)C(OCC1CCCCC1)=O)C(OC1=CC=CC=C1)=O