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(2E)-2-Penten-4-ynyl 2,6-difluorobenzoate
SpectraBase Compound ID 38ZB7VGpGh8
InChI InChI=1S/C12H8F2O2/c1-2-3-4-8-16-12(15)11-9(13)6-5-7-10(11)14/h1,3-7H,8H2/b4-3+
InChIKey PXUHUXMKEIVSBN-ONEGZZNKSA-N
Mol Weight 222.19 g/mol
Molecular Formula C12H8F2O2
Exact Mass 222.049236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1IJJZnvTCl6
Name (2E)-2-Penten-4-ynyl 2,6-difluorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8F2O2
InChI InChI=1S/C12H8F2O2/c1-2-3-4-8-16-12(15)11-9(13)6-5-7-10(11)14/h1,3-7H,8H2/b4-3+
InChIKey PXUHUXMKEIVSBN-ONEGZZNKSA-N
Molecular Weight 222.191 g/mol
SMILES C(=O)(OC\C=C\C#C)c1c(F)cccc1F
SPLASH splash10-0006-1900000000-cdb957e76f82c6df3f5a
Source of Spectrum NP-5-4043-0
Synonyms 2,6-Difluorobenzoic acid, pent-2-en-4-ynyl ester [(E)-pent-2-en-4-ynyl] 2,6-difluorobenzoate [(E)-pent-2-en-4-ynyl] 2,6-bis(fluoranyl)benzoate
Wiley ID 1104849