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Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester

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Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 4AA68dR4JsN
InChI InChI=1S/C22H30F8O4/c1-2-7-16(13-12-15-8-4-3-5-9-15)34-18(32)11-6-10-17(31)33-14-20(25,26)22(29,30)21(27,28)19(23)24/h4,8,15-16,19H,2-3,5-7,9-14H2,1H3
InChIKey TZJGDXCTZGFXHQ-UHFFFAOYSA-N
Mol Weight 510.47 g/mol
Molecular Formula C22H30F8O4
Exact Mass 510.201635 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RsGggTTMr0
Name Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.201634746 u
Formula C22H30F8O4
InChI InChI=1S/C22H30F8O4/c1-2-7-16(13-12-15-8-4-3-5-9-15)34-18(32)11-6-10-17(31)33-14-20(25,26)22(29,30)21(27,28)19(23)24/h4,8,15-16,19H,2-3,5-7,9-14H2,1H3
InChIKey TZJGDXCTZGFXHQ-UHFFFAOYSA-N
Molecular Weight 510.465 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC(CCC)CCC1C=CCCC1)=O