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3,4-dihydroxycinnamic acid, 1-carboxy-3,5-dihydroxy-1,4-cycloehexylene ester, hydrate

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3,4-dihydroxycinnamic acid, 1-carboxy-3,5-dihydroxy-1,4-cycloehexylene ester, hydrate
SpectraBase Compound ID 1V6hm6oWNot
InChI InChI=1S/C25H24O12.H2O/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14;/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35);1H2/b7-3+,8-4+;/t19-,20-,23+,25-;/m1./s1
InChIKey IPLONVYWHBRADG-SXYVKZDHSA-N
Mol Weight 534.47 g/mol
Molecular Formula C25H26O13
Exact Mass 534.137341 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 567gR07zztZ
Name 3,4-DIHYDROXYCINNAMIC ACID, 1-CARBOXY-3,5-DIHYDROXY-1,4-CYCLOHEXYLENE ESTER, HYDRATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O13
InChI InChI=1S/C25H24O12.H2O/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14;/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35);1H2/b7-3+,8-4+;/t19-,20-,23+,25-;/m1./s1
InChIKey IPLONVYWHBRADG-SXYVKZDHSA-N
Melting Point 223-224C
Molecular Weight 534.473640
Synonyms CINNAMIC ACID, 3,4-DIHYDROXY-, 1- CARBOXY-3,5-DIHYDROXY-1,4-CYCLOHEXYL- ENE ESTER, HYDRATE CYNARIN, HYDRATE
Technique KBr WAFER