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(S)-(+)-(2-Methoxyphenyl)(phenyl)(3-tolyl)phosphane borane
SpectraBase Compound ID 7pHPZV1w15r
InChI InChI=1S/C20H19OP.B/c1-16-9-8-12-18(15-16)22(17-10-4-3-5-11-17)20-14-7-6-13-19(20)21-2;/h3-15H,1-2H3;
InChIKey XMXXEWOBZGJPLI-UHFFFAOYSA-N
Mol Weight 317.15 g/mol
Molecular Formula C20H19BOP
Exact Mass 317.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKFROYtFCgL
Name (S)-(+)-(2-Methoxyphenyl)(phenyl)(3-tolyl)phosphane borane
Appearance White solid
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Exact Mass 317.126657399 u
Formula C20H19BOP
InChI InChI=1S/C20H19OP.B/c1-16-9-8-12-18(15-16)22(17-10-4-3-5-11-17)20-14-7-6-13-19(20)21-2;/h3-15H,1-2H3;
InChIKey XMXXEWOBZGJPLI-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 317.155 g/mol
Optical Rotation [a]D23 = +5.9 (c = 1.0, CHCl3)
Reported Formula C20H22BOP
SMILES [B].C1=C(C=CC=C1C)[P@](C1=CC=CC=C1)C1=CC=CC=C1OC
SPLASH splash10-0apj-0769000000-ba28b156c3e756365384
Sample Comments 98% ee
Source of Spectrum K1-2018-2990-7h (DOI: 10.1002/ejoc.201701734)
Wiley ID 1891700