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(S)-(-)-(4-Ethoxyphenyl)(phenyl)(3-tolyl)phosphane borane
SpectraBase Compound ID 1wjI7Bn19XZ
InChI InChI=1S/C21H21OP.B/c1-3-22-18-12-14-20(15-13-18)23(19-9-5-4-6-10-19)21-11-7-8-17(2)16-21;/h4-16H,3H2,1-2H3;
InChIKey HROQQNUKPMGNDA-UHFFFAOYSA-N
Mol Weight 331.18 g/mol
Molecular Formula C21H21BOP
Exact Mass 331.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20jAcyOO5g
Name (S)-(-)-(4-Ethoxyphenyl)(phenyl)(3-tolyl)phosphane borane
Appearance White solid
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Exact Mass 331.142307463 u
Formula C21H21BOP
InChI InChI=1S/C21H21OP.B/c1-3-22-18-12-14-20(15-13-18)23(19-9-5-4-6-10-19)21-11-7-8-17(2)16-21;/h4-16H,3H2,1-2H3;
InChIKey HROQQNUKPMGNDA-UHFFFAOYSA-N
Instrument Name Thermo Electron MAT 95-XP/an Agilent 1200/6210 Time-of-flight LC-MS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701734
Molecular Weight 331.182 g/mol
Optical Rotation [a]D23 = -4.1 (c = 1.0, CHCl3)
Reported Formula C21H24BOP
SMILES [B].C1=C(C=CC=C1C)[P@](C1=CC=CC=C1)C1=CC=C(C=C1)OCC
SPLASH splash10-00di-0029000000-09955d0653db0be5e312
Sample Comments 99% ee
Source of Spectrum K1-2018-2991-7n (DOI: 10.1002/ejoc.201701734)
Wiley ID 1891706