N-CARBOBENZOXY-DL-VALINE(3588-63-4) Raman
Product NameN-CARBOBENZOXY-DL-VALINE
CAS3588-63-4
Molecular FormulaC13H17NO4
Molecular Weight251.28
InChIInChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)/t11-/m0/s1
InChIKey CANZBRDGRHNSGZ-NSHDSACASA-N
SmilesC(O)(=O)[C@H](C(C)C)NC(OCC1=CC=CC=C1)=O
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MassMS-NW-2486 N-benzyloxycarbonyl-DL-valine C13H17NO4 (Mass of molecular ion: 251)
Source Temperature: 200 °C Sample Temperature: 160 °C Direct, 75 eV
15.0 1.3 17.0 2.1 18.0 11.1 26.0 1.9 27.0 20.0 28.0 28.7 29.0 5.5 30.0 1.7 31.0 2.0 37.0 1.5 38.0 3.0 39.0 15.5 40.0 2.3 41.0 28.1 42.0 4.8 43.0 46.0 44.0 5.0 50.0 5.4 51.0 12.6 52.0 4.3 53.0 3.6 54.0 2.6 55.0 3.7 56.0 11.2 57.0 1.0 62.0 1.5 63.0 3.7 64.0 1.2 65.0 10.2 68.0 1.2 70.0 1.8 72.0 2.8 73.0 13.4 74.0 4.0 75.0 1.2 76.0 1.0 77.0 29.1 78.0 7.0 79.0 63.3 80.0 6.5 83.0 9.7 89.0 5.2 90.0 7.3 91.0 100.0 92.0 11.1 98.0 2.6 101.0 95.7 102.0 3.8 105.0 3.2 106.0 1.6 107.0 50.3 108.0 98.8 109.0 7.7 116.0 4.8 162.0 8.5 163.0 1.1 206.0 1.8 251.0 1.6
in CDCl3
KBr disc
4880 A,200 M,powder
