3-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]benzoic acid

SpectraBase Compound ID	LiI9g427zMY
InChI	InChI=1S/C14H7F13O2/c15-10(16,11(17,18)14(25,26)27)9(12(19,20)21,13(22,23)24)5-6-2-1-3-7(4-6)8(28)29/h1-4H,5H2,(H,28,29)
InChIKey	YNRQWXFDVZVLSM-UHFFFAOYSA-N Google Search
Mol Weight	454.19 g/mol
Molecular Formula	C14H7F13O2
Exact Mass	454.023846 g/mol

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SpectraBase Spectrum ID	2ODIxof4ysk
Name	3-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]benzoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C14H7F13O2
InChI	InChI=1S/C14H7F13O2/c15-10(16,11(17,18)14(25,26)27)9(12(19,20)21,13(22,23)24)5-6-2-1-3-7(4-6)8(28)29/h1-4H,5H2,(H,28,29)
InChIKey	YNRQWXFDVZVLSM-UHFFFAOYSA-N
Molecular Weight	454.187 g/mol
SMILES	OC(c1cc(CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)ccc1)=O
SPLASH	splash10-0f79-0900500000-7b7e42b4ec211e48e95a
Source of Spectrum	KC-0-288-10
Synonyms	3-[3,3,4,4,5,5,5-heptakis(fluoranyl)-2,2-bis(trifluoromethyl)pentyl]benzoic acid
Wiley ID	827346