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Isophthalic acid, 4-cyanophenyl decyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 4-cyanophenyl decyl ester
SpectraBase Compound ID FUgOjYIB9si
InChI InChI=1S/C25H29NO4/c1-2-3-4-5-6-7-8-9-17-29-24(27)21-11-10-12-22(18-21)25(28)30-23-15-13-20(19-26)14-16-23/h10-16,18H,2-9,17H2,1H3
InChIKey XAJUEYZKKKYKKW-UHFFFAOYSA-N
Mol Weight 407.51 g/mol
Molecular Formula C25H29NO4
Exact Mass 407.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27xtogROsxi
Name Isophthalic acid, 4-cyanophenyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 407.209658414 u
Formula C25H29NO4
InChI InChI=1S/C25H29NO4/c1-2-3-4-5-6-7-8-9-17-29-24(27)21-11-10-12-22(18-21)25(28)30-23-15-13-20(19-26)14-16-23/h10-16,18H,2-9,17H2,1H3
InChIKey XAJUEYZKKKYKKW-UHFFFAOYSA-N
Molecular Weight 407.510 g/mol
SMILES C1(=CC=C(C=C1)OC(C1=CC(=CC=C1)C(OCCCCCCCCCC)=O)=O)C#N