4-NITROPHENYL LAURATE(1956-11-2) MS
Product Name4-NITROPHENYL LAURATE
CAS1956-11-2
Molecular FormulaC18H27NO4
Molecular Weight321.41
InChIInChI=1S/C18H27NO4/c1-2-3-4-5-6-7-8-9-10-11-18(20)23-17-14-12-16(13-15-17)19(21)22/h12-15H,2-11H2,1H3
InChIKey YNGNVZFHHJEZKD-UHFFFAOYSA-N
SmilesC(OC1=CC=C([N+]([O-])=O)C=C1)(=O)CCCCCCCCCCC
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MassMS-NW-2234 p-nitrophenyl laurate C18H27NO4 (Mass of molecular ion: 321)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
27.0 3.9 28.0 1.1 29.0 8.5 30.0 1.6 39.0 3.1 41.0 16.2 42.0 4.3 43.0 33.6 44.0 1.0 53.0 1.1 54.0 1.0 55.0 14.8 56.0 3.1 57.0 51.9 58.0 2.3 63.0 1.3 64.0 1.1 65.0 1.9 67.0 4.0 68.0 1.0 69.0 6.9 70.0 1.3 71.0 26.2 72.0 1.4 81.0 5.6 83.0 8.9 84.0 2.9 85.0 18.9 86.0 1.2 93.0 1.0 95.0 12.4 96.0 1.1 97.0 4.3 98.0 3.3 99.0 3.3 109.0 8.3 113.0 1.1 123.0 2.6 139.0 1.1 140.0 1.2 181.0 2.1 183.0 100.0 184.0 13.0 185.0 1.1
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
