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2-(6,6-Dichloro-7,7,7-trifluoro-4-(trifluoromethyl)heptyl)isoindoline-1,3-dione
SpectraBase Compound ID 5Dmxd5IPO8u
InChI InChI=1S/C16H13Cl2F6NO2/c17-14(18,16(22,23)24)8-9(15(19,20)21)4-3-7-25-12(26)10-5-1-2-6-11(10)13(25)27/h1-2,5-6,9H,3-4,7-8H2
InChIKey AIZKVEIBRMOSRR-UHFFFAOYSA-N
Mol Weight 436.18 g/mol
Molecular Formula C16H13Cl2F6NO2
Exact Mass 435.022753 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUttJu43q1w
Name 2-(6,6-Dichloro-7,7,7-trifluoro-4-(trifluoromethyl)heptyl)isoindoline-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13Cl2F6NO2
InChI InChI=1S/C16H13Cl2F6NO2/c17-14(18,16(22,23)24)8-9(15(19,20)21)4-3-7-25-12(26)10-5-1-2-6-11(10)13(25)27/h1-2,5-6,9H,3-4,7-8H2
InChIKey AIZKVEIBRMOSRR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201900075
Molecular Weight 436.181 g/mol
SMILES C(CC(C(F)(F)F)(Cl)Cl)(CCCN1C(c2c(C1=O)cccc2)=O)C(F)(F)F
SPLASH splash10-03di-0900100000-34485a2913766b2465ed
Source of Spectrum CJC-37-SM32-5r
Wiley ID 1819516