2-METHYL-2-NITRO-1,3-PROPANEDIOL(77-49-6) IR2
Product Name2-METHYL-2-NITRO-1,3-PROPANEDIOL
CAS77-49-6
Molecular FormulaC4H9NO4
Molecular Weight135.12
InChIInChI=1S/C4H9NO4/c1-4(2-6,3-7)5(8)9/h6-7H,2-3H2,1H3
InChIKey LOTYADDQWWVBDJ-UHFFFAOYSA-N
SmilesC(O)C(C)([N+]([O-])=O)CO
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MassMS-NW-5038 2-methyl-2-nitro-1,3-propanediol C4H9NO4 (Mass of molecular ion: 135)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
13.0 1.0 14.0 2.5 15.0 5.8 17.0 7.5 18.0 33.6 19.0 3.3 26.0 3.1 27.0 9.3 28.0 20.3 29.0 59.0 30.0 50.9 31.0 17.0 37.0 3.0 38.0 6.5 39.0 51.8 40.0 14.7 41.0 100.0 42.0 8.8 43.0 14.5 44.0 2.8 45.0 1.5 46.0 1.9 55.0 1.2 57.0 6.9 58.0 10.0 59.0 8.6 69.0 1.6 70.0 4.6 71.0 8.2 76.0 1.5 87.0 2.2 88.0 1.0
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
