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2-(2,2,2-trifluoro-1-hydroxy-ethyl)pent-4-enoic acid ethyl ester
SpectraBase Compound ID 8KnmG84A9Aa
InChI InChI=1S/C9H13F3O3/c1-3-5-6(8(14)15-4-2)7(13)9(10,11)12/h3,6-7,13H,1,4-5H2,2H3
InChIKey YBAHDQHRTQXLDX-UHFFFAOYSA-N
Mol Weight 226.2 g/mol
Molecular Formula C9H13F3O3
Exact Mass 226.081679 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JMOBqWuF00
Name 2-(2,2,2-trifluoro-1-hydroxy-ethyl)pent-4-enoic acid ethyl ester
CAS Registry Number 100083-62-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13F3O3
InChI InChI=1S/C9H13F3O3/c1-3-5-6(8(14)15-4-2)7(13)9(10,11)12/h3,6-7,13H,1,4-5H2,2H3
InChIKey YBAHDQHRTQXLDX-UHFFFAOYSA-N
Molecular Weight 226.195 g/mol
SMILES OC(C(C(OCC)=O)CC=C)C(F)(F)F
SPLASH splash10-004i-9500000000-b8c7d313b4d56ce54610
Synonyms 2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pentenoic acid ethyl ester 4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]- Ethyl 2-(2,2,2-trifluoro-1-hydroxy-ethyl)pent-4-enoate Ethyl 2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pentenoate Ethyl 2-[2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]pent-4-enoate
Wiley ID 1485977