TRI-(P-TERT-BUTYLPHENYL) PHOSPHATE(78-33-1) MS
Product NameTRI-(P-TERT-BUTYLPHENYL) PHOSPHATE
CAS78-33-1
Molecular FormulaC30H39O4P
Molecular Weight494.6
InChIInChI=1S/C30H39O4P/c1-28(2,3)22-10-16-25(17-11-22)32-35(31,33-26-18-12-23(13-19-26)29(4,5)6)34-27-20-14-24(15-21-27)30(7,8)9/h10-21H,1-9H3
InChIKey LORSVOJSXMHDHF-UHFFFAOYSA-N
SmilesP(=O)(OC1C=CC(C(C)(C)C)=CC=1)(OC1C=CC(C(C)(C)C)=CC=1)OC1C=CC(C(C)(C)C)=CC=1
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MassMS-NW-8249 tris(p-tert-butylphenyl) phosphate C30H39O4P (Mass of molecular ion: 494)
Source Temperature: 180 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 2.7 28.0 1.1 29.0 1.6 41.0 5.4 55.0 1.2 57.0 17.0 58.0 1.1 77.0 2.2 91.0 4.5 105.0 1.8 107.0 3.2 109.0 1.7 115.0 3.2 116.0 1.1 117.0 2.5 118.0 1.1 119.0 1.1 121.0 1.2 133.0 1.2 135.0 5.4 153.0 1.4 169.0 1.1 178.0 1.4 181.0 3.0 183.0 1.8 197.0 2.8 204.0 1.3 211.0 1.7 218.0 1.7 232.0 17.6 232.5 5.4 361.0 1.0 367.0 5.2 368.0 1.3 407.0 1.9 449.0 1.2 463.0 1.5 465.0 1.8 479.0 100.0 480.0 32.3 481.0 5.9 493.0 1.4 494.0 34.3 495.0 11.4 496.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C30 H39 O4 P 0.039 g : 0.5 ml CDCl3 tris(p-tert-butylphenyl) phosphate 
Assign. Shift(ppm)
A 7.32 B 7.17 C 1.297
Hz ppm Int.663.00 7.403 23 662.38 7.396 28 653.56 7.298 70 645.00 7.202 57 643.94 7.191 56 635.81 7.100 21 634.81 7.089 22 116.13 1.297 1000 114.19 1.276 48
in CDCl3
KBr disc
nujol mull
