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(R)-3-Ethoxy-1-(4-methoxyphenyl)-3-oxopropyl decanoate
SpectraBase Compound ID HSyXUIQZTAR
InChI InChI=1S/C22H34O5/c1-4-6-7-8-9-10-11-12-21(23)27-20(17-22(24)26-5-2)18-13-15-19(25-3)16-14-18/h13-16,20H,4-12,17H2,1-3H3/t20-/m1/s1
InChIKey MPKBJWFDKAVGNU-HXUWFJFHSA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LqjGAggJhyf
Name (R)-3-Ethoxy-1-(4-methoxyphenyl)-3-oxopropyl decanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.240624190 u
Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-4-6-7-8-9-10-11-12-21(23)27-20(17-22(24)26-5-2)18-13-15-19(25-3)16-14-18/h13-16,20H,4-12,17H2,1-3H3/t20-/m1/s1
InChIKey MPKBJWFDKAVGNU-HXUWFJFHSA-N
Molecular Weight 378.509 g/mol
SMILES C([C@@](OC(=O)CCCCCCCCC)(C1=CC=C(C=C1)OC)[H])C(=O)OCC