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Glutaric acid, dodec-2-en-1-yl geranyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, dodec-2-en-1-yl geranyl ester
SpectraBase Compound ID DRC3LyVKvQR
InChI InChI=1S/C27H46O4/c1-5-6-7-8-9-10-11-12-13-14-22-30-26(28)19-16-20-27(29)31-23-21-25(4)18-15-17-24(2)3/h13-14,17,21H,5-12,15-16,18-20,22-23H2,1-4H3/b14-13+,25-21+
InChIKey VJNJEGFEEBVXBA-PHXNMELBSA-N
Mol Weight 434.7 g/mol
Molecular Formula C27H46O4
Exact Mass 434.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6P8LkMp0PVs
Name Glutaric acid, dodec-2-en-1-yl geranyl ester
Comments Computed using HOSE algorithm
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Exact Mass 434.339609957 u
Formula C27H46O4
InChI InChI=1S/C27H46O4/c1-5-6-7-8-9-10-11-12-13-14-22-30-26(28)19-16-20-27(29)31-23-21-25(4)18-15-17-24(2)3/h13-14,17,21H,5-12,15-16,18-20,22-23H2,1-4H3/b14-13+,25-21+
InChIKey VJNJEGFEEBVXBA-PHXNMELBSA-N
Molecular Weight 434.661 g/mol
SMILES C(CCC(OC\C=C\CCCCCCCCC)=O)C(OC\C=C\(CCC=C(C)C)C)=O