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2S-Chloro-2-(3'-methoxy-4'-hydroxybenzyl)-3S-(3"-methoxy-4"-hydroxybenzyl)-.gamma.-butyrolactone
SpectraBase Compound ID ENnMMhUAyW
InChI InChI=1S/C20H21ClO6/c1-25-17-8-12(3-5-15(17)22)7-14-11-27-19(24)20(14,21)10-13-4-6-16(23)18(9-13)26-2/h3-6,8-9,14,22-23H,7,10-11H2,1-2H3/t14-,20-/m0/s1
InChIKey ISFJUGXNZOOYGT-XOBRGWDASA-N
Mol Weight 392.84 g/mol
Molecular Formula C20H21ClO6
Exact Mass 392.102666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ncOnEkE7kY
Name 2S-Chloro-2-(3'-methoxy-4'-hydroxybenzyl)-3S-(3"-methoxy-4"-hydroxybenzyl)-.gamma.-butyrolactone
Alternate Name(s) (3S,4S)-3-chloro-3,4-bis(4-hydroxy-3-methoxybenzyl)dihydro-2(3H)-furanone 2S-Chloro-2-(3'-methoxy-4'-hydroxybenzyl)-3S-(3''-methoxy-4''-hydroxybenzyl)-.gamma.-butyrolactone
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Formula C20H21ClO6
InChI InChI=1S/C20H21ClO6/c1-25-17-8-12(3-5-15(17)22)7-14-11-27-19(24)20(14,21)10-13-4-6-16(23)18(9-13)26-2/h3-6,8-9,14,22-23H,7,10-11H2,1-2H3/t14-,20-/m0/s1
InChIKey ISFJUGXNZOOYGT-XOBRGWDASA-N
Molecular Weight 392.835 g/mol
SMILES Oc1c(cc(C[C@]2(COC([C@@]2(Cc2ccc(c(c2)OC)O)Cl)=O)[H])cc1)OC
SPLASH splash10-000b-0900000000-fa47c82b663805f91f7a
Source of Spectrum F-50-5209-4
Wiley ID 1365705