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Phytyl tetradecanoate

View entire compound with spectra: 1 NMR

Phytyl tetradecanoate
SpectraBase Compound ID ISFNiJRdeUm
InChI InChI=1S/C34H66O2/c1-7-8-9-10-11-12-13-14-15-16-17-27-34(35)36-29-28-33(6)26-20-25-32(5)24-19-23-31(4)22-18-21-30(2)3/h28,30-32H,7-27,29H2,1-6H3/b33-28+
InChIKey QYGFRANKWSAZOD-PJJLUWSFSA-N
Mol Weight 506.9 g/mol
Molecular Formula C34H66O2
Exact Mass 506.506281 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K4s51j7sUUV
Name Phytyl tetradecanoate
Comments Computed using HOSE algorithm
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Exact Mass 506.506281363 u
Formula C34H66O2
InChI InChI=1S/C34H66O2/c1-7-8-9-10-11-12-13-14-15-16-17-27-34(35)36-29-28-33(6)26-20-25-32(5)24-19-23-31(4)22-18-21-30(2)3/h28,30-32H,7-27,29H2,1-6H3/b33-28+
InChIKey QYGFRANKWSAZOD-PJJLUWSFSA-N
Molecular Weight 506.900 g/mol
SMILES C(CCCCCCCCCCCCC)(=O)OC\C=C/(C)CCCC(C)CCCC(C)CCCC(C)C