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2-Ethylhexyl 4-oxo-3-(trifluoromethyl)-4H-thieno[3,2-c]chromene-2-carboxylate

View entire compound with spectra: 1 MS (GC)

2-Ethylhexyl 4-oxo-3-(trifluoromethyl)-4H-thieno[3,2-c]chromene-2-carboxylate
SpectraBase Compound ID AAtqNWUu8Ev
InChI InChI=1S/C21H21F3O4S/c1-3-5-8-12(4-2)11-27-20(26)18-16(21(22,23)24)15-17(29-18)13-9-6-7-10-14(13)28-19(15)25/h6-7,9-10,12H,3-5,8,11H2,1-2H3
InChIKey IHVHRJAQJHEVMC-UHFFFAOYSA-N
Mol Weight 426.45 g/mol
Molecular Formula C21H21F3O4S
Exact Mass 426.111265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlVDpsrFR2L
Name 2-Ethylhexyl 4-oxo-3-(trifluoromethyl)-4H-thieno[3,2-c]chromene-2-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21F3O4S
InChI InChI=1S/C21H21F3O4S/c1-3-5-8-12(4-2)11-27-20(26)18-16(21(22,23)24)15-17(29-18)13-9-6-7-10-14(13)28-19(15)25/h6-7,9-10,12H,3-5,8,11H2,1-2H3
InChIKey IHVHRJAQJHEVMC-UHFFFAOYSA-N
Molecular Weight 426.450 g/mol
SMILES c12c(c(C(OCC(CC)CCCC)=O)sc2-c2ccccc2OC1=O)C(F)(F)F
SPLASH splash10-03di-0029000000-b750b6d0c04a810f1237
Source of Spectrum F-67-7954-12c
Wiley ID 1687619