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(3'E,2R,2'RS)-2-t-butyl-6-[2'-hydroxy-4'-phenyl-3'-butenyl]-4H-1,3-dioxin-4-one

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(3'E,2R,2'RS)-2-t-butyl-6-[2'-hydroxy-4'-phenyl-3'-butenyl]-4H-1,3-dioxin-4-one
SpectraBase Compound ID Ew8agmkbJNo
InChI InChI=1S/C18H22O4/c1-18(2,3)17-21-15(12-16(20)22-17)11-14(19)10-9-13-7-5-4-6-8-13/h4-10,12,14,17,19H,11H2,1-3H3/b10-9+/t14?,17-/m1/s1
InChIKey RCGDNMLBTGSEJC-SHFUDCFKSA-N
Mol Weight 302.37 g/mol
Molecular Formula C18H22O4
Exact Mass 302.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJ6CGIROEdo
Name (3'E,2R,2'rs)-2-T-Butyl-6-[2'-hydroxy-4'-phenyl-3'-butenyl]-4H-1,3-dioxin-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.151809184 u
Formula C18H22O4
InChI InChI=1S/C18H22O4/c1-18(2,3)17-21-15(12-16(20)22-17)11-14(19)10-9-13-7-5-4-6-8-13/h4-10,12,14,17,19H,11H2,1-3H3/b10-9+/t14?,17-/m1/s1
InChIKey RCGDNMLBTGSEJC-SHFUDCFKSA-N
SMILES [C@]1(OC(C=C(O1)CC(\C=C\C1=CC=CC=C1)O)=O)(C(C)(C)C)[H]