3-OXOPENTANE-1,5-DICARBOXYLIC ACID MONOETHYL ESTER(1506-55-4) IR2
Product Name3-OXOPENTANE-1,5-DICARBOXYLIC ACID MONOETHYL ESTER
CAS1506-55-4
Molecular FormulaC9H14O5
Molecular Weight202.2
InChIInChI=1S/C9H14O5/c1-2-14-9(13)6-4-7(10)3-5-8(11)12/h2-6H2,1H3,(H,11,12)
InChIKey JYEYJELELKLPLO-UHFFFAOYSA-N
SmilesC(OCC)(=O)CCC(=O)CCC(O)=O
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MassMS-IW-0611 ethyl hydrogen 4-oxoheptanedioate C9H14O5 (Mass of molecular ion: 202)
Source Temperature: 130 °C Sample Temperature: 90 °C Direct, 75 eV
17.0 1.1 18.0 6.3 27.0 4.7 28.0 5.1 29.0 11.5 31.0 1.0 42.0 1.6 43.0 2.7 45.0 9.2 55.0 16.0 56.0 7.6 57.0 5.1 70.0 1.0 73.0 21.4 74.0 18.7 75.0 5.3 83.0 3.6 84.0 1.7 101.0 100.0 102.0 34.8 103.0 2.4 110.0 1.2 111.0 25.6 112.0 4.2 128.0 1.2 129.0 76.1 130.0 5.4 138.0 1.1 139.0 3.4 156.0 1.2 157.0 22.4 158.0 1.9 185.0 1.7
KBr disc
nujol mull
