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2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
SpectraBase Compound ID 82Eie1mTYH
InChI InChI=1S/C10H6F7NO/c11-8(12,9(13,14)10(15,16)17)7(19)18-6-4-2-1-3-5-6/h1-5H,(H,18,19)
InChIKey AFGARRAOIQHNDW-UHFFFAOYSA-N
Mol Weight 289.15 g/mol
Molecular Formula C10H6F7NO
Exact Mass 289.033761 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B12HfPGU4kS
Name 2,2,3,3,4,4,4-Heptafluoro-N-phenylbutanamide
CAS Registry Number 336-61-8
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 289.033760957 u
Formula C10H6F7NO
InChI InChI=1S/C10H6F7NO/c11-8(12,9(13,14)10(15,16)17)7(19)18-6-4-2-1-3-5-6/h1-5H,(H,18,19)
InChIKey AFGARRAOIQHNDW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 289.153 g/mol
Nominal Mass 289 u
Quality 993
Retention Index 1176
SMILES C(C(C(NC=1C=CC=CC1)=O)(F)F)(C(F)(F)F)(F)F
SPLASH splash10-009l-9430000000-8a7464c8be87f4d6ceaa
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
Technique GC/MS
Wiley ID DD2024_027956