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3-(4-Hydroxyphenyl)propenoic acid 2-ethylhexyl ester
SpectraBase Compound ID IKYl56pTHhM
InChI InChI=1S/C17H24O3/c1-3-5-6-14(4-2)13-20-17(19)12-9-15-7-10-16(18)11-8-15/h7-12,14,18H,3-6,13H2,1-2H3/b12-9-
InChIKey DAFFYDOASOLDQY-XFXZXTDPSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CJjVl21Opxv
Name 3-(4-Hydroxyphenyl)propenoic acid 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 276.172544630 u
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-3-5-6-14(4-2)13-20-17(19)12-9-15-7-10-16(18)11-8-15/h7-12,14,18H,3-6,13H2,1-2H3/b12-9-
InChIKey DAFFYDOASOLDQY-XFXZXTDPSA-N
SMILES C1(=CC=C(C=C1)\C=C/C(OCC(CCCC)CC)=O)O