For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(2rs)-[(E)-caffeoyloxy]glutaric acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7d5Lpd6GVZV
Name (2rs)-[(E)-caffeoyloxy]glutaric acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.068867403 u
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
Molecular Weight 310.258 g/mol
SMILES C([C@@](OC(=O)\C=C\C=1C=C(O)C(O)=CC1)(C(O)=O)[H])CC(O)=O