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Coniferyl aldehyde, N-butyl ether
SpectraBase Compound ID CYh8saruzyV
InChI InChI=1S/C14H18O3/c1-3-4-10-17-13-8-7-12(6-5-9-15)11-14(13)16-2/h5-9,11H,3-4,10H2,1-2H3/b6-5+
InChIKey OIYKOTPBQDKUJB-AATRIKPKSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2w4R7nAU6X9
Name Coniferyl aldehyde, N-butyl ether
Comments Computed using HOSE algorithm
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Exact Mass 234.125594437 u
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-3-4-10-17-13-8-7-12(6-5-9-15)11-14(13)16-2/h5-9,11H,3-4,10H2,1-2H3/b6-5+
InChIKey OIYKOTPBQDKUJB-AATRIKPKSA-N
Molecular Weight 234.295 g/mol
SMILES C1(=CC(=C(C=C1)OCCCC)OC)\C=C\C=O