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Isophthalic acid, dodecyl pent-4-enyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, dodecyl pent-4-enyl ester
SpectraBase Compound ID 9n4PY52Vj0Z
InChI InChI=1S/C25H38O4/c1-3-5-7-8-9-10-11-12-13-15-20-29-25(27)23-18-16-17-22(21-23)24(26)28-19-14-6-4-2/h4,16-18,21H,2-3,5-15,19-20H2,1H3
InChIKey HFMXJEPQOVJJQJ-UHFFFAOYSA-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 7lTP252VrIK
Name Isophthalic acid, dodecyl pent-4-enyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.277009700 u
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-3-5-7-8-9-10-11-12-13-15-20-29-25(27)23-18-16-17-22(21-23)24(26)28-19-14-6-4-2/h4,16-18,21H,2-3,5-15,19-20H2,1H3
InChIKey HFMXJEPQOVJJQJ-UHFFFAOYSA-N
Molecular Weight 402.575 g/mol
SMILES C1=CC(=CC(=C1)C(=O)OCCCCCCCCCCCC)C(OCCCC=C)=O