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(+-)-trans-2-(3-Carboxymethoxybenzyl)-3-(3'-hydroxybenzyl)butyrolactone

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LbM1yWZsffN
Name (+-)-trans-2-(3-carboxymethoxybenzyl)-3-(3'-hydroxybenzyl)butyrolactone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.125988358 u
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 C1([C@@]([C@@](CC2=CC(O)=CC=C2)(CO1)[H])(CC=1C=C(OCC(=O)O)C=CC1)[H])=O