SpectraBase Compound ID | 4kKwCfb3Wx9 |
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InChI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
InChIKey | CWVRJTMFETXNAD-JUHZACGLSA-N |
Mol Weight | 354.31 g/mol |
Molecular Formula | C16H18O9 |
Exact Mass | 354.095082 g/mol |
SpectraBase Spectrum ID | EhBVxUuRDsd |
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Name | 3,4-dihydroxycinnamic acid, 5-carboxy-2,3,5-trihydroxycyclohexyl ester |
Conditions | Neutral |
Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C16H18O9 |
InChI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
InChIKey | CWVRJTMFETXNAD-JUHZACGLSA-N |
Sadtler IR Number | 1593 |
Sadtler UV Number | 11433N |
Solvent | Methanol |