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Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl propyl ester

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Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl propyl ester
SpectraBase Compound ID 5m2nkRhs37F
InChI InChI=1S/C12H15F7O4/c1-2-6-22-8(20)4-3-5-9(21)23-7-10(13,14)11(15,16)12(17,18)19/h2-7H2,1H3
InChIKey AZSFHNCOPRRXAT-UHFFFAOYSA-N
Mol Weight 356.24 g/mol
Molecular Formula C12H15F7O4
Exact Mass 356.085856 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4StOSnBGPnf
Name Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.085856100 u
Formula C12H15F7O4
InChI InChI=1S/C12H15F7O4/c1-2-6-22-8(20)4-3-5-9(21)23-7-10(13,14)11(15,16)12(17,18)19/h2-7H2,1H3
InChIKey AZSFHNCOPRRXAT-UHFFFAOYSA-N
Molecular Weight 356.237 g/mol
SMILES C(OCC(C(C(F)(F)F)(F)F)(F)F)(=O)CCCC(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885818