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(2R,3S)-trans-4'-Methoxy-3-O-acetylflavan

View entire compound with spectra: 1 MS (GC)

(2R,3S)-trans-4'-Methoxy-3-O-acetylflavan
SpectraBase Compound ID 42QH59GAokd
InChI InChI=1S/C18H18O4/c1-12(19)21-17-11-14-5-3-4-6-16(14)22-18(17)13-7-9-15(20-2)10-8-13/h3-10,17-18H,11H2,1-2H3/t17-,18+/m0/s1
InChIKey AJTHQFDFQAZPKC-ZWKOTPCHSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J26JmXViIDw
Name (2R,3S)-trans-4'-Methoxy-3-O-acetylflavan
Alternate Name(s) Acetic acid [(2R,3S)-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester [(2R,3S)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate [(2R,3S)-2-(4-methoxyphenyl)chroman-3-yl] acetate [(2R,3S)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] ethanoate
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Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-12(19)21-17-11-14-5-3-4-6-16(14)22-18(17)13-7-9-15(20-2)10-8-13/h3-10,17-18H,11H2,1-2H3/t17-,18+/m0/s1
InChIKey AJTHQFDFQAZPKC-ZWKOTPCHSA-N
Molecular Weight 298.338 g/mol
SMILES [C@]1(Oc2c(C[C@@]1(OC(=O)C)[H])cccc2)(c1ccc(cc1)OC)[H]
SPLASH splash10-0fki-0930000000-eb76c47928a915f56b02
Source of Spectrum KC-0-3419-21
Wiley ID 823939