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p-Tolyl((2S,3S)-2-(p-tolyl)-3-(trifluoromethyl)tetrahydro-2H-pyran-2-yl)methanone
SpectraBase Compound ID 6puwtiCvqSZ
InChI InChI=1S/C21H21F3O2/c1-14-5-9-16(10-6-14)19(25)20(17-11-7-15(2)8-12-17)18(21(22,23)24)4-3-13-26-20/h5-12,18H,3-4,13H2,1-2H3/t18-,20+/m0/s1
InChIKey XHPCQXVXCVAMIB-AZUAARDMSA-N
Mol Weight 362.39 g/mol
Molecular Formula C21H21F3O2
Exact Mass 362.149364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LetBymdKuu0
Name p-Tolyl((2S,3S)-2-(p-tolyl)-3-(trifluoromethyl)tetrahydro-2H-pyran-2-yl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21F3O2
InChI InChI=1S/C21H21F3O2/c1-14-5-9-16(10-6-14)19(25)20(17-11-7-15(2)8-12-17)18(21(22,23)24)4-3-13-26-20/h5-12,18H,3-4,13H2,1-2H3/t18-,20+/m0/s1
InChIKey XHPCQXVXCVAMIB-AZUAARDMSA-N
Literature Reference DOI 10.1002/anie.201304557
Molecular Weight 362.392 g/mol
SMILES C1CC[C@](C(F)(F)F)([C@@](C(=O)c2ccc(C)cc2)(c2ccc(cc2)C)O1)[H]
SPLASH splash10-00kf-7960000000-a219c93c6aef4e82b0b6
Source of Spectrum ACI-52-SMS6-2b
Wiley ID 1781661