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3-Hydroxy-1-(thiophen-2-yl)-3-(trifluoromethyl)undeca-4,10-diyn-1-one
SpectraBase Compound ID 4DIZbPOqFpE
InChI InChI=1S/C16H15F3O2S/c1-2-3-4-5-6-7-10-15(21,16(17,18)19)12-13(20)14-9-8-11-22-14/h1,8-9,11,21H,3-6,12H2
InChIKey FPPBQWSOWYGBDN-UHFFFAOYSA-N
Mol Weight 328.35 g/mol
Molecular Formula C16H15F3O2S
Exact Mass 328.074485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ID56YjVbuDn
Name 3-Hydroxy-1-(thiophen-2-yl)-3-(trifluoromethyl)undeca-4,10-diyn-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15F3O2S
InChI InChI=1S/C16H15F3O2S/c1-2-3-4-5-6-7-10-15(21,16(17,18)19)12-13(20)14-9-8-11-22-14/h1,8-9,11,21H,3-6,12H2
InChIKey FPPBQWSOWYGBDN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201200687
Molecular Weight 328.349 g/mol
SMILES OC(CC(=O)c1sccc1)(C#CCCCCC#C)C(F)(F)F
SPLASH splash10-0006-0951000000-8303e57b918be9cefe25
Source of Spectrum ASC-355-583-3h
Wiley ID 1761868