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(S)-Ethyl 2-(3,5-dimethyl-biphenyl-4-yloxy)-3-phenylpropanoate
SpectraBase Compound ID E5xA4FppA1u
InChI InChI=1S/C25H26O3/c1-4-27-25(26)23(17-20-11-7-5-8-12-20)28-24-18(2)15-22(16-19(24)3)21-13-9-6-10-14-21/h5-16,23H,4,17H2,1-3H3/t23-/m0/s1
InChIKey CBMKFRWKWQQDNW-QHCPKHFHSA-N
Mol Weight 374.48 g/mol
Molecular Formula C25H26O3
Exact Mass 374.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jjtLaQRtgp
Name (S)-Ethyl 2-(3,5-dimethyl-biphenyl-4-yloxy)-3-phenylpropanoate
Appearance Colorless or yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O3
InChI InChI=1S/C25H26O3/c1-4-27-25(26)23(17-20-11-7-5-8-12-20)28-24-18(2)15-22(16-19(24)3)21-13-9-6-10-14-21/h5-16,23H,4,17H2,1-3H3/t23-/m0/s1
InChIKey CBMKFRWKWQQDNW-QHCPKHFHSA-N
Instrument Name HP GC/MS 6890-5973 MSD
Ionization Type EI
Literature Reference DOI 10.1021/jm301018z
Molecular Weight 374.480 g/mol
SMILES C(C)OC([C@](Cc1ccccc1)(Oc1c(cc(cc1C)-c1ccccc1)C)[H])=O
SPLASH splash10-00ds-0907000000-46a6636fefe95dd512a9
Source of Spectrum AF-56-SM2-21c
Wiley ID 1854376