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(3S)-3,4-dihydro-3-[(1R,2R)-1,2-dihydroxy-3-[(4-chlorobenzyl)oxy]propyl]-7-methoxy-1H-2-benzopyran
SpectraBase Compound ID IgY8a2jjbO7
InChI InChI=1S/C20H23ClO5/c1-24-17-7-4-14-9-19(26-11-15(14)8-17)20(23)18(22)12-25-10-13-2-5-16(21)6-3-13/h2-8,18-20,22-23H,9-12H2,1H3/t18-,19+,20-/m1/s1
InChIKey HSLZXEGRSPEMBS-HSALFYBXSA-N
Mol Weight 378.85 g/mol
Molecular Formula C20H23ClO5
Exact Mass 378.123402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzexVr6ceoS
Name (3S)-3,4-dihydro-3-[(1R,2R)-1,2-dihydroxy-3-[(4-chlorobenzyl)oxy]propyl]-7-methoxy-1H-2-benzopyran
CAS Registry Number 114817-47-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23ClO5
InChI InChI=1S/C20H23ClO5/c1-24-17-7-4-14-9-19(26-11-15(14)8-17)20(23)18(22)12-25-10-13-2-5-16(21)6-3-13/h2-8,18-20,22-23H,9-12H2,1H3/t18-,19+,20-/m1/s1
InChIKey HSLZXEGRSPEMBS-HSALFYBXSA-N
Molecular Weight 378.852 g/mol
SMILES O[C@@]([C@]([C@]1(OCc2c(C1)ccc(OC)c2)[H])(O)[H])(COCc1ccc(cc1)Cl)[H]
SPLASH splash10-002r-1900000000-9408d1542989be5b07cb
Source of Spectrum J-53-3292-16
Synonyms (1R,2R)-3-[(4-chlorobenzyl)oxy]-1-[(3S)-7-methoxy-3,4-dihydro-1H-2-benzopyran-3-yl]-1,2-propanediol
Wiley ID 1358702