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Succinic acid, dodec-2-en-1-yl 2-propylphenyl ester
SpectraBase Compound ID J5erwbnuwaz
InChI InChI=1S/C25H38O4/c1-3-5-6-7-8-9-10-11-12-15-21-28-24(26)19-20-25(27)29-23-18-14-13-17-22(23)16-4-2/h12-15,17-18H,3-11,16,19-21H2,1-2H3/b15-12+
InChIKey ISYUCXWZKRIPND-NTCAYCPXSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID WfN16QL8yv
Name Succinic acid, dodec-2-en-1-yl 2-propylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.277009700 u
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-3-5-6-7-8-9-10-11-12-15-21-28-24(26)19-20-25(27)29-23-18-14-13-17-22(23)16-4-2/h12-15,17-18H,3-11,16,19-21H2,1-2H3/b15-12+
InChIKey ISYUCXWZKRIPND-NTCAYCPXSA-N
Molecular Weight 402.575 g/mol
SMILES C(CC(OC\C=C\CCCCCCCCC)=O)C(OC=1C(CCC)=CC=CC1)=O