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3-Hydroxyl-3-(pyrrol-2-yl)-4,4,4-trifluorobutanoic acid ethyl ester
SpectraBase Compound ID AUrSZSnSsgU
InChI InChI=1S/C10H12F3NO3/c1-2-17-8(15)6-9(16,10(11,12)13)7-4-3-5-14-7/h3-5,14,16H,2,6H2,1H3
InChIKey MLWNIZLFGXOZEU-UHFFFAOYSA-N
Mol Weight 251.21 g/mol
Molecular Formula C10H12F3NO3
Exact Mass 251.076928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgRJZ7Ie3Pd
Name 3-Hydroxyl-3-(pyrrol-2-yl)-4,4,4-trifluorobutanoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12F3NO3
InChI InChI=1S/C10H12F3NO3/c1-2-17-8(15)6-9(16,10(11,12)13)7-4-3-5-14-7/h3-5,14,16H,2,6H2,1H3
InChIKey MLWNIZLFGXOZEU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201100569
Molecular Weight 251.205 g/mol
SMILES [nH]1c(C(O)(CC(OCC)=O)C(F)(F)F)ccc1
SPLASH splash10-01po-6920000000-311b9cc95d7551bb8932
Source of Spectrum CMC-7-910/SM15-60
Synonyms Ethyl 4,4,4-trifluoro-3-hydroxy-3-(1H-pyrrol-2-yl)butanoate 4,4,4-trifluoro-3-hydroxy-3-(1H-pyrrol-2-yl)butanoic acid ethyl ester Ethyl 4,4,4-tris(fluoranyl)-3-oxidanyl-3-(1H-pyrrol-2-yl)butanoate
Wiley ID 1771820