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rac?-(E)?-2?-(3,4?-dimethoxy?-cinnamoyl)?-oxo?-glutaric acid dimethyl ester
SpectraBase Compound ID 4fz68lCk5Ob
InChI InChI=1S/C18H22O8/c1-22-13-7-5-12(11-15(13)23-2)6-9-17(20)26-14(18(21)25-4)8-10-16(19)24-3/h5-7,9,11,14H,8,10H2,1-4H3/b9-6+
InChIKey JKGMQNZJAPNMDJ-RMKNXTFCSA-N
Mol Weight 366.37 g/mol
Molecular Formula C18H22O8
Exact Mass 366.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3PjHrgtrJ9S
Name rac?-(E)?-2?-(3,4?-dimethoxy?-cinnamoyl)?-oxo?-glutaric acid dimethyl ester
Alternate Name(s) Dimethyl (E)-2-((3-(3,4-dimethoxyphenyl)acryloyl)oxy)pentanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O8
InChI InChI=1S/C18H22O8/c1-22-13-7-5-12(11-15(13)23-2)6-9-17(20)26-14(18(21)25-4)8-10-16(19)24-3/h5-7,9,11,14H,8,10H2,1-4H3/b9-6+
InChIKey JKGMQNZJAPNMDJ-RMKNXTFCSA-N
Literature Reference DOI 10.1002/pca.1325
Molecular Weight 366.366 g/mol
SMILES c1(c(OC)ccc(\C=C\C(OC(CCC(OC)=O)C(OC)=O)=O)c1)OC
SPLASH splash10-00kf-0904000000-ec8883b7be1036b83e91
Source of Spectrum PA-23-63-7
Wiley ID 1787648