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bis[3,5-bis(trifluoromethyl)phenyl]-[2-[1-[(4S)-4-isopropyl-4,5-dihydrooxazol-2-yl]-1-methyl-ethyl]phenyl]phosphane
SpectraBase Compound ID LKgfzdMF0S6
InChI InChI=1S/C31H26F12NOP/c1-16(2)24-15-45-26(44-24)27(3,4)23-7-5-6-8-25(23)46(21-11-17(28(32,33)34)9-18(12-21)29(35,36)37)22-13-19(30(38,39)40)10-20(14-22)31(41,42)43/h5-14,16,24H,15H2,1-4H3/t24-/m1/s1
InChIKey WJJWWOGYTVYNDF-XMMPIXPASA-N
Mol Weight 687.51 g/mol
Molecular Formula C31H26F12NOP
Exact Mass 687.156039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5v2A4P3FNB2
Name bis[3,5-bis(trifluoromethyl)phenyl]-[2-[1-[(4S)-4-isopropyl-4,5-dihydrooxazol-2-yl]-1-methyl-ethyl]phenyl]phosphane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H26F12NOP
InChI InChI=1S/C31H26F12NOP/c1-16(2)24-15-45-26(44-24)27(3,4)23-7-5-6-8-25(23)46(21-11-17(28(32,33)34)9-18(12-21)29(35,36)37)22-13-19(30(38,39)40)10-20(14-22)31(41,42)43/h5-14,16,24H,15H2,1-4H3/t24-/m1/s1
InChIKey WJJWWOGYTVYNDF-XMMPIXPASA-N
Ionization Type EI
Molecular Weight 687.510 g/mol
Optical Rotation [a]D20 = -11.8 (c = 1.01, CHCl3)
SMILES c1c(c(ccc1)C(C=1OC[C@@](N1)(C(C)C)[H])(C)C)P(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(C(F)(F)F)cc(c1)C(F)(F)F
SPLASH splash10-004i-3000920000-82e83f6c6d93df05b717
Source of Spectrum CN101012241B
Wiley ID 1843862