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Sebacic acid, 2-bromo-4-fluorophenyl decyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-bromo-4-fluorophenyl decyl ester
SpectraBase Compound ID 7TeuaaSCZqS
InChI InChI=1S/C26H40BrFO4/c1-2-3-4-5-6-9-12-15-20-31-25(29)16-13-10-7-8-11-14-17-26(30)32-24-19-18-22(28)21-23(24)27/h18-19,21H,2-17,20H2,1H3
InChIKey XBMTWJKHTFAEFR-UHFFFAOYSA-N
Mol Weight 515.5 g/mol
Molecular Formula C26H40BrFO4
Exact Mass 514.209401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GUIHBk1LE4k
Name Sebacic acid, 2-bromo-4-fluorophenyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 514.209400927 u
Formula C26H40BrFO4
InChI InChI=1S/C26H40BrFO4/c1-2-3-4-5-6-9-12-15-20-31-25(29)16-13-10-7-8-11-14-17-26(30)32-24-19-18-22(28)21-23(24)27/h18-19,21H,2-17,20H2,1H3
InChIKey XBMTWJKHTFAEFR-UHFFFAOYSA-N
Molecular Weight 515.504 g/mol
SMILES C(CCCCCC(OC1=CC=C(C=C1Br)F)=O)CCC(OCCCCCCCCCC)=O