SpectraBase Compound ID | KZcIgneGoEl |
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InChI | InChI=1S/C16H25F3O4/c1-2-3-4-5-6-7-8-9-12-22-14(20)10-11-15(21)23-13-16(17,18)19/h10-11H,2-9,12-13H2,1H3/b11-10+ |
InChIKey | IMAXXVVRPPAUEC-ZHACJKMWSA-N |
Mol Weight | 338.37 g/mol |
Molecular Formula | C16H25F3O4 |
Exact Mass | 338.170494 g/mol |
SpectraBase Spectrum ID | 3y9mmjnsZ7L |
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Name | Fumaric acid, decyl 2,2,2-trifluoroethyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 338.170493770 u |
Formula | C16H25F3O4 |
InChI | InChI=1S/C16H25F3O4/c1-2-3-4-5-6-7-8-9-12-22-14(20)10-11-15(21)23-13-16(17,18)19/h10-11H,2-9,12-13H2,1H3/b11-10+ |
InChIKey | IMAXXVVRPPAUEC-ZHACJKMWSA-N |
Molecular Weight | 338.367 g/mol |
SMILES | C(COC(\C=C\C(OCCCCCCCCCC)=O)=O)(F)(F)F |