Benzoximate(29104-30-1) IR2
Product NameBenzoximate
CAS29104-30-1
Molecular FormulaC18H18ClNO5
Molecular Weight363.79
InChIInChI=1S/C18H18ClNO5/c1-4-24-20-17(25-18(21)12-8-6-5-7-9-12)15-14(22-2)11-10-13(19)16(15)23-3/h5-11H,4H2,1-3H3/b20-17-
InChIKey BZMIHNKNQJJVRO-JZJYNLBNSA-N
SmilesC1(C(OC)=CC=C(Cl)C=1OC)/C(=N/OCC)/OC(=O)C1C=CC=CC=1
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MassMS2001-00756WA benzomate C18H18ClNO5 (Mass of molecular ion: 363)
Source Temperature: 210 °C Sample Temperature: 25 °C Direct, 70 eV
18.0 3.3 50.0 1.0 51.0 4.0 76.0 1.7 77.0 24.3 78.0 1.9 104.0 1.0 105.0 100.0 106.0 7.7 113.0 1.0 126.0 1.6 141.0 3.5 143.0 1.1 154.0 2.3 156.0 1.5 170.0 1.0 184.0 7.4 186.0 2.5 197.0 2.8 198.0 1.0 199.0 90.4 200.0 8.9 201.0 28.7 202.0 2.8 213.0 1.5 363.0 1.0
in CDCl3
in CDCl3
KBr disk
Nujol
