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(3S,4S)-3-methyl-4-phenyl-3-p-tolyl-4-(trifluoromethyl)oxetan-2-one
SpectraBase Compound ID HPfg8V13w5w
InChI InChI=1S/C18H15F3O2/c1-12-8-10-13(11-9-12)16(2)15(22)23-17(16,18(19,20)21)14-6-4-3-5-7-14/h3-11H,1-2H3/t16-,17+/m1/s1
InChIKey QYZZNXDYWPDTGK-SJORKVTESA-N
Mol Weight 320.31 g/mol
Molecular Formula C18H15F3O2
Exact Mass 320.102414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Lsc7SOirgA
Name (3S,4S)-3-methyl-4-phenyl-3-p-tolyl-4-(trifluoromethyl)oxetan-2-one
Alternate Name(s) (3S,4S)-3-methyl-4-phenyl-3-(p-tolyl)-4-(trifluoromethyl)oxetan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15F3O2
InChI InChI=1S/C18H15F3O2/c1-12-8-10-13(11-9-12)16(2)15(22)23-17(16,18(19,20)21)14-6-4-3-5-7-14/h3-11H,1-2H3/t16-,17+/m1/s1
InChIKey QYZZNXDYWPDTGK-SJORKVTESA-N
Molecular Weight 320.311 g/mol
SMILES [C@@]1(OC(=O)[C@]1(c1ccc(cc1)C)C)(c1ccccc1)C(F)(F)F
SPLASH splash10-00kb-0900000000-bd35f633488dc3b1236f
Source of Spectrum A1-11-4029/SMS10-3f
Wiley ID 1757083