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Butyl 2-((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-(p-tolyloxy)butanoate
SpectraBase Compound ID 2L4lJ0gBRB1
InChI InChI=1S/C24H30O5/c1-3-4-14-27-24(25)19(13-15-26-20-11-9-18(2)10-12-20)16-21-17-28-22-7-5-6-8-23(22)29-21/h5-12,19,21H,3-4,13-17H2,1-2H3
InChIKey HELMEKKHCNGHCI-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C24H30O5
Exact Mass 398.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mUPcJHFO3X
Name Butyl 2-((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-(p-tolyloxy)butanoate
Appearance Colorless oil
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Formula C24H30O5
InChI InChI=1S/C24H30O5/c1-3-4-14-27-24(25)19(13-15-26-20-11-9-18(2)10-12-20)16-21-17-28-22-7-5-6-8-23(22)29-21/h5-12,19,21H,3-4,13-17H2,1-2H3
InChIKey HELMEKKHCNGHCI-UHFFFAOYSA-N
Instrument Name AGILENT 6890N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900888
Molecular Weight 398.499 g/mol
Reported Formula C24H30O5
SMILES CCCCOC(C(CC1Oc2ccccc2OC1)CCOc1ccc(cc1)C)=O
SPLASH splash10-000i-3691000000-465ffae84a2724a2e3d5
Sample Comments dr = 2:1
Source of Spectrum U1-2020-SM55-6 (Diastereoisomer B)
Thin-Layer Chromatography Rf = 0.47 (hexane/EtOAc, 90:10)
Wiley ID 1858807