O-tert-Butyl-L-serine methyl ester hydrochloride(17114-97-5) MS
Product NameO-tert-Butyl-L-serine methyl ester hydrochloride
CAS17114-97-5
Molecular FormulaC8H18ClNO3
Molecular Weight211.69
InChIInChI=1/C8H17NO3.ClH/c1-8(2,3)12-5-6(9)7(10)11-4;/h6H,5,9H2,1-4H3;1H/t6-;/s3
InChIKey PCIABNBULSRKSU-UZHXKHNSNA-N
SmilesC(C)(C)(C)OC[C@H](N)C(=O)OC.Cl |&1:6,r|
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MassMS-KW-0542 O-tert-butyl-L-serine methyl ester hydrochloride C8H17NO3 HCl (Mass of molecular ion: 175)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 4.6 18.0 2.7 27.0 1.9 28.0 4.8 29.0 10.3 30.0 2.5 31.0 1.3 33.0 2.8 35.0 1.8 36.0 15.8 38.0 5.3 39.0 2.4 41.0 15.3 42.0 12.0 43.0 8.3 50.5 1.9 55.0 1.3 56.0 1.9 57.0 56.7 58.0 3.4 59.0 4.2 60.0 39.1 61.0 1.1 70.0 7.1 74.0 21.7 88.0 11.2 89.0 100.0 90.0 3.8 102.0 21.4 103.0 1.2 116.0 8.9 119.0 2.2 145.0 1.6 160.0 2.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C8H18ClNO3 0.037 g : 0.5 ml CDCl3 O-tert-butyl-L-serine methyl ester hydrochloride 
Assign. Shift(ppm)
A 8.74 B 4.374 C *1 4.002 D *1 3.885 E 3.822 F 1.206
Hz ppm Int.3495.24 8.743 27 1751.84 4.382 28 1748.42 4.374 51 1745.12 4.366 28 1606.94 4.020 25 1603.89 4.012 26 1597.05 3.995 36 1594.12 3.988 32 1558.96 3.900 35 1555.18 3.891 36 1549.20 3.876 28 1545.42 3.866 26 1536.50 3.844 11 1527.96 3.822 426 482.06 1.206 1000
in CDCl3
KBr disk
Nujol
