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(+-)-trans-2-(3-Carboxymethoxybenzyl)-3-(3'-hydroxybenzyl)butyrolactone
SpectraBase Compound ID HIQW8fMh6D3
InChI InChI=1S/C20H20O6/c21-16-5-1-3-13(8-16)7-15-11-26-20(24)18(15)10-14-4-2-6-17(9-14)25-12-19(22)23/h1-6,8-9,15,18,21H,7,10-12H2,(H,22,23)/t15-,18+/m0/s1
InChIKey INDTVEJJKXETGU-MAUKXSAKSA-N
Mol Weight 356.37 g/mol
Molecular Formula C20H20O6
Exact Mass 356.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 399hwhvpmmp
Name (+-)-trans-2-(3-Carboxymethoxybenzyl)-3-(3'-hydroxybenzyl)butyrolactone
Alternate Name(s) (3-{[(3R,4R)-4-(3-hydroxybenzyl)-2-oxotetrahydro-3-furanyl]methyl}phenoxy)acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O6
InChI InChI=1S/C20H20O6/c21-16-5-1-3-13(8-16)7-15-11-26-20(24)18(15)10-14-4-2-6-17(9-14)25-12-19(22)23/h1-6,8-9,15,18,21H,7,10-12H2,(H,22,23)/t15-,18+/m0/s1
InChIKey INDTVEJJKXETGU-MAUKXSAKSA-N
Molecular Weight 356.374 g/mol
SMILES Oc1cc(C[C@]2(COC([C@@]2(Cc2cc(OCC(=O)O)ccc2)[H])=O)[H])ccc1
SPLASH splash10-0a4i-0927000000-b966e3c58ab68c106240
Source of Spectrum F-56-1879-5
Wiley ID 856304