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(3S)-3,4-dihydro-3-[(1S,2R)-1,2-dihydroxy-3-[(4-chlorobenzyl)oxy]propyl]-7-methoxy-1H-2-benzopyran
SpectraBase Compound ID BMlyxzAFUsh
InChI InChI=1S/C20H23ClO5/c1-24-17-7-4-14-8-15(11-26-19(14)9-17)20(23)18(22)12-25-10-13-2-5-16(21)6-3-13/h2-7,9,15,18,20,22-23H,8,10-12H2,1H3/t15?,18-,20+/m1/s1
InChIKey MNYFUEFEIJMMDR-JFSACEIJSA-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 IneE46SAi11
Name (3S)-3,4-dihydro-3-[(1S,2R)-1,2-dihydroxy-3-[(4-chlorobenzyl)oxy]propyl]-7-methoxy-1H-2-benzopyran
CAS Registry Number 114817-49-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23ClO5
InChI InChI=1S/C20H23ClO5/c1-24-17-7-4-14-8-15(11-26-19(14)9-17)20(23)18(22)12-25-10-13-2-5-16(21)6-3-13/h2-7,9,15,18,20,22-23H,8,10-12H2,1H3/t15?,18-,20+/m1/s1
InChIKey MNYFUEFEIJMMDR-JFSACEIJSA-N
Molecular Weight 378.852 g/mol
SMILES O[C@@]([C@](C1Cc2c(cc(cc2)OC)OC1)(O)[H])(COCc1ccc(cc1)Cl)[H]
SPLASH splash10-004r-0900000000-3b23d96302ae24b4156f
Source of Spectrum J-53-3291-14
Synonyms (1S,2R)-3-[(4-chlorobenzyl)oxy]-1-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,2-propanediol
Wiley ID 1358701