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N-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-2,2,3,3,4,4,4-heptafluoro-N-isopropylbutanamide
SpectraBase Compound ID F2Vnenjf1l2
InChI InChI=1S/C16H16F7NO3/c1-9(2)24(13(25)14(17,18)15(19,20)16(21,22)23)6-5-10-3-4-11-12(7-10)27-8-26-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKey XTNKPZAXILDQEB-UHFFFAOYSA-N
Mol Weight 403.3 g/mol
Molecular Formula C16H16F7NO3
Exact Mass 403.101841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tfTilitOYV
Name N-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-2,2,3,3,4,4,4-heptafluoro-N-isopropylbutanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16F7NO3
InChI InChI=1S/C16H16F7NO3/c1-9(2)24(13(25)14(17,18)15(19,20)16(21,22)23)6-5-10-3-4-11-12(7-10)27-8-26-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKey XTNKPZAXILDQEB-UHFFFAOYSA-N
Molecular Weight 403.297 g/mol
SMILES c12c(ccc(c2)CCN(C(C)C)C(=O)C(C(C(F)(F)F)(F)F)(F)F)OCO1
SPLASH splash10-002k-2920000000-e65b6d8903d7e24f789b
Source of Spectrum Professor Randall Clark, Department: Drug Discovery and Development, Auburn University, Harrison School of Pharmacy, 3306 Walker Building, Auburn, AL 36849
Wiley ID 1815623