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(R)-Triisopropylsilyl-1-(4-bromophenyl)-2,2-diphenylcyclopropanecarboxylate
SpectraBase Compound ID 3sD9PBJHN8R
InChI InChI=1S/C31H37BrO2Si/c1-22(2)35(23(3)4,24(5)6)34-29(33)31(27-17-19-28(32)20-18-27)21-30(31,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-20,22-24H,21H2,1-6H3/t31-/m0/s1
InChIKey FPPAGGXBEWZFCW-HKBQPEDESA-N
Mol Weight 549.6 g/mol
Molecular Formula C31H37BrO2Si
Exact Mass 548.17462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DKA6a5MhF0
Name (R)-Triisopropylsilyl-1-(4-bromophenyl)-2,2-diphenylcyclopropanecarboxylate
Appearance Colorless oil
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Exact Mass 548.174619964 u
Formula C31H37BrO2Si
InChI InChI=1S/C31H37BrO2Si/c1-22(2)35(23(3)4,24(5)6)34-29(33)31(27-17-19-28(32)20-18-27)21-30(31,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-20,22-24H,21H2,1-6H3/t31-/m0/s1
InChIKey FPPAGGXBEWZFCW-HKBQPEDESA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1021/jacs.2c02258
Molecular Weight 549.624 g/mol
Optical Rotation [a]D20 = -165.0 (c = 0.9, CHCl3)
Quality 108
Reported Formula C31H37BrO2Si
SMILES C(O[Si](C(C)C)(C(C)C)C(C)C)([C@]1(CC1(C1=CC=CC=C1)C=1C=CC=CC1)C1=CC=C(C=C1)Br)=O
SPLASH splash10-0ar0-1223090000-1021381c4e5814295777
Source of Spectrum C-144-SM6-(R)-S9 (DOI: 10.1021/jacs.2c02258)
Wiley ID 1910635