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Glutaric acid, dodec-2-en-1-yl tetradecyl ester
SpectraBase Compound ID MaAdeT3u6Z
InChI InChI=1S/C31H58O4/c1-3-5-7-9-11-13-15-16-18-20-22-24-29-35-31(33)27-25-26-30(32)34-28-23-21-19-17-14-12-10-8-6-4-2/h21,23H,3-20,22,24-29H2,1-2H3/b23-21+
InChIKey BKYYSGYUUSBOQA-XTQSDGFTSA-N
Mol Weight 494.8 g/mol
Molecular Formula C31H58O4
Exact Mass 494.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUJbV0Xi0F4
Name Glutaric acid, dodec-2-en-1-yl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.433510344 u
Formula C31H58O4
InChI InChI=1S/C31H58O4/c1-3-5-7-9-11-13-15-16-18-20-22-24-29-35-31(33)27-25-26-30(32)34-28-23-21-19-17-14-12-10-8-6-4-2/h21,23H,3-20,22,24-29H2,1-2H3/b23-21+
InChIKey BKYYSGYUUSBOQA-XTQSDGFTSA-N
Molecular Weight 494.801 g/mol
SMILES C(CCC(OC\C=C\CCCCCCCCC)=O)C(OCCCCCCCCCCCCCC)=O