Product NamePhenylphosphonic acid bis(p-nitrophenyl) ester
CAS38873-91-5
Molecular FormulaC18H13N2O7P
Molecular Weight400.28
InChIInChI=1S/C18H13N2O7P/c21-19(22)14-6-10-16(11-7-14)26-28(25,18-4-2-1-3-5-18)27-17-12-8-15(9-13-17)20(23)24/h1-13H
InChIKey WQSNPTABRVOQCQ-UHFFFAOYSA-N
SmilesC1=CC=C(P(=O)(OC2=CC=C([N+]([O-])=O)C=C2)OC2=CC=C([N+]([O-])=O)C=C2)C=C1
Mass
MS-NW-8236 bis(p-nitrophenyl) phenylphosphonate C18H13N2O7P (Mass of molecular ion: 400)
Source Temperature: 220 °C Sample Temperature: 180 °C Direct, 75 eV
28.0 1.4 30.0 2.5 38.0 1.0 39.0 3.1 47.0 2.2 50.0 5.5 51.0 5.6 53.0 1.1 63.0 4.2 64.0 4.6 65.0 4.9 74.0 1.0 75.0 9.2 76.0 16.4 77.0 33.5 78.0 2.5 92.0 6.2 93.0 2.0 109.0 2.0 115.0 1.2 122.0 7.6 123.0 2.2 124.0 4.2 128.0 1.2 139.0 9.1 140.0 1.9 141.0 6.8 152.0 2.4 153.0 1.1 168.0 2.1 169.0 5.0 170.0 1.3 198.0 1.6 199.0 3.0 215.0 12.8 216.0 20.6 217.0 3.0 232.0 1.8 246.0 1.8 260.0 12.5 261.0 6.5 262.0 100.0 263.0 13.7 264.0 1.7 353.0 1.0 384.0 2.1 399.0 51.2 400.0 51.9 401.0 10.7 402.0 3.6
in CDCl3
KBr disc
nujol mull
Phenylphosphonic acid bis(p-nitrophenyl) ester(38873-91-5) IR2 Atlas of Related Products
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