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Methyl 4-O-comaroyl-quinate

View entire compound with spectra: 1 MS (GC)

Methyl 4-O-comaroyl-quinate
SpectraBase Compound ID HE2gdU2deka
InChI InChI=1S/C17H20O8/c1-24-16(22)17(23)8-12(19)15(13(20)9-17)25-14(21)7-4-10-2-5-11(18)6-3-10/h2-7,12-13,15,18-20,23H,8-9H2,1H3/b7-4+/t12-,13-,15-,17+/m0/s1
InChIKey HDSDPFJFNJWIDZ-BQQFVVSKSA-N
Mol Weight 352.34 g/mol
Molecular Formula C17H20O8
Exact Mass 352.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tb3EfxZYZy
Name Methyl 4-O-comaroyl-quinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O8
InChI InChI=1S/C17H20O8/c1-24-16(22)17(23)8-12(19)15(13(20)9-17)25-14(21)7-4-10-2-5-11(18)6-3-10/h2-7,12-13,15,18-20,23H,8-9H2,1H3/b7-4+/t12-,13-,15-,17+/m0/s1
InChIKey HDSDPFJFNJWIDZ-BQQFVVSKSA-N
Molecular Weight 352.339 g/mol
SMILES O[C@@]1([C@]([C@](C[C@@](C1)(C(=O)OC)O)(O)[H])(OC(\C=C\c1ccc(cc1)O)=O)[H])[H]
SPLASH splash10-0002-1901000000-6e75d108a9f40b766909
Source of Spectrum X2-68-1184-9
Wiley ID 1609672