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Sebacic acid, hexyl phenyl ester
SpectraBase Compound ID EVadNVypOBo
InChI InChI=1S/C22H34O4/c1-2-3-4-14-19-25-21(23)17-12-7-5-6-8-13-18-22(24)26-20-15-10-9-11-16-20/h9-11,15-16H,2-8,12-14,17-19H2,1H3
InChIKey WODRRBVYDRCQRN-UHFFFAOYSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3kSJ2J6sBEE
Name Sebacic acid, hexyl phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 362.245709571 u
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-2-3-4-14-19-25-21(23)17-12-7-5-6-8-13-18-22(24)26-20-15-10-9-11-16-20/h9-11,15-16H,2-8,12-14,17-19H2,1H3
InChIKey WODRRBVYDRCQRN-UHFFFAOYSA-N
Molecular Weight 362.510 g/mol
SMILES C(CCCCC(OC1=CC=CC=C1)=O)CCCC(OCCCCCC)=O