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(2RS)-[(E)-caffeoyloxy]glutaric Acid
SpectraBase Compound ID 3wTUXk9RD5Q
InChI InChI=1S/C14H14O8/c15-9-3-1-8(7-10(9)16)2-6-13(19)22-11(14(20)21)4-5-12(17)18/h1-3,6-7,11,15-16H,4-5H2,(H,17,18)(H,20,21)/b6-2+/t11-/m1/s1
InChIKey GPOOFQRSRXVOEY-SZHMKSFOSA-N
Mol Weight 310.26 g/mol
Molecular Formula C14H14O8
Exact Mass 310.068867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqX6wXtzU8Z
Name (2RS)-[(E)-caffeoyloxy]glutaric Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O8
InChI InChI=1S/C14H14O8/c15-9-3-1-8(7-10(9)16)2-6-13(19)22-11(14(20)21)4-5-12(17)18/h1-3,6-7,11,15-16H,4-5H2,(H,17,18)(H,20,21)/b6-2+/t11-/m1/s1
InChIKey GPOOFQRSRXVOEY-SZHMKSFOSA-N
Literature Reference DOI 10.1002/cbdv.201200424
Molecular Weight 310.258 g/mol
SMILES Oc1cc(\C=C\C(O[C@@](C(O)=O)(CCC(O)=O)[H])=O)ccc1O
SPLASH splash10-00dr-9620000000-6265d398542f293ae888
Source of Spectrum CBD-10-1719-2
Synonyms (2RS)-Mercurialis Acid (R,E)-2-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)pentanedioic acid
Wiley ID 1771215