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(3aR,6aS)-methyl 2,5-bis(4-(trifluoromethyl)phenyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-3a-carboxylate
SpectraBase Compound ID LJJKSuHjmtM
InChI InChI=1S/C23H16F6O3/c1-31-20(30)21-11-15(13-2-6-16(7-3-13)22(24,25)26)10-19(21)32-18(12-21)14-4-8-17(9-5-14)23(27,28)29/h2-10,12,19H,11H2,1H3/t19-,21+/m0/s1
InChIKey QGDRQOMJZQJMPX-PZJWPPBQSA-N
Mol Weight 454.37 g/mol
Molecular Formula C23H16F6O3
Exact Mass 454.100363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8j2FiNgmPe
Name (3aR,6aS)-methyl 2,5-bis(4-(trifluoromethyl)phenyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-3a-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H16F6O3
InChI InChI=1S/C23H16F6O3/c1-31-20(30)21-11-15(13-2-6-16(7-3-13)22(24,25)26)10-19(21)32-18(12-21)14-4-8-17(9-5-14)23(27,28)29/h2-10,12,19H,11H2,1H3/t19-,21+/m0/s1
InChIKey QGDRQOMJZQJMPX-PZJWPPBQSA-N
Literature Reference DOI 10.1039/c3cc45286g
Molecular Weight 454.368 g/mol
SMILES c1c(ccc(C2=C[C@@]3([H])[C@](C2)(C(=O)OC)C=C(c2ccc(cc2)C(F)(F)F)O3)c1)C(F)(F)F
SPLASH splash10-00dj-1941200000-13bcc3aae50b5dc08124
Source of Spectrum KD-50-808/SMS6-3h
Wiley ID 1754171