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(Z)-9-Tetracosene-1,24-diol bis 3-(hydroxypropanoate) ester
SpectraBase Compound ID L8VOlpzJhZf
InChI InChI=1S/C30H56O6/c31-25-23-29(33)35-27-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-28-36-30(34)24-26-32/h5,7,31-32H,1-4,6,8-28H2/b7-5-
InChIKey NXGDMZLYNYEAEZ-ALCCZGGFSA-N
Mol Weight 512.8 g/mol
Molecular Formula C30H56O6
Exact Mass 512.40769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CsCjSixxbiE
Name (Z)-9-Tetracosene-1,24-diol bis 3-(hydroxypropanoate) ester
Comments Computed using HOSE algorithm
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Exact Mass 512.407689517 u
Formula C30H56O6
InChI InChI=1S/C30H56O6/c31-25-23-29(33)35-27-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-28-36-30(34)24-26-32/h5,7,31-32H,1-4,6,8-28H2/b7-5-
InChIKey NXGDMZLYNYEAEZ-ALCCZGGFSA-N
Molecular Weight 512.772 g/mol
SMILES C(CCO)(=O)OCCCCCCCCCCCCCC\C=C/CCCCCCCCOC(CCO)=O