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Propylene glycol ricinoleate

View entire compound with spectra: 1 NMR, and 3 FTIR

Propylene glycol ricinoleate
SpectraBase Compound ID Dq6IG8IM2qn
InChI InChI=1S/C21H40O4/c1-3-4-5-12-15-20(23)16-13-10-8-6-7-9-11-14-17-21(24)25-18-19(2)22/h10,13,19-20,22-23H,3-9,11-12,14-18H2,1-2H3/b13-10-/t19?,20-/m1/s1
InChIKey JZSMZIOJUHECHW-GTJZZHROSA-N
Mol Weight 356.5 g/mol
Molecular Formula C21H40O4
Exact Mass 356.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L6MEpJjfzxC
Name Propylene glycol ricinoleate
Comments Computed using HOSE algorithm
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Exact Mass 356.292659764 u
Formula C21H40O4
InChI InChI=1S/C21H40O4/c1-3-4-5-12-15-20(23)16-13-10-8-6-7-9-11-14-17-21(24)25-18-19(2)22/h10,13,19-20,22-23H,3-9,11-12,14-18H2,1-2H3/b13-10-/t19?,20-/m1/s1
InChIKey JZSMZIOJUHECHW-GTJZZHROSA-N
Molecular Weight 356.547 g/mol
SMILES OC(COC(CCCCCCC\C=C/C[C@@](CCCCCC)(O)[H])=O)C