SpectraBase Compound ID | AeERqxrKrjR |
---|---|
InChI | InChI=1S/C14H15F3O5/c1-8(14(15,16)17)22-12(18)5-4-9-6-10(20-2)13(19)11(7-9)21-3/h4-8,19H,1-3H3/b5-4+ |
InChIKey | JSJMMBZOCMBWEJ-SNAWJCMRSA-N |
Mol Weight | 320.26 g/mol |
Molecular Formula | C14H15F3O5 |
Exact Mass | 320.087158 g/mol |
SpectraBase Spectrum ID | 87EBCX49Rcl |
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Name | Sinapic acid, 1,1,1-trifluoro-2-propyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 320.087158067 u |
Formula | C14H15F3O5 |
InChI | InChI=1S/C14H15F3O5/c1-8(14(15,16)17)22-12(18)5-4-9-6-10(20-2)13(19)11(7-9)21-3/h4-8,19H,1-3H3/b5-4+ |
InChIKey | JSJMMBZOCMBWEJ-SNAWJCMRSA-N |
Molecular Weight | 320.264 g/mol |
SMILES | C1(=C(C(=CC(=C1)\C=C\C(=O)OC(C(F)(F)F)C)OC)O)OC |