1-TERT-BUTYLAMINO-3-CHLORO-2-PROPANOL HYDROCHLORIDE(41052-94-2) 1H NMR
Product Name1-TERT-BUTYLAMINO-3-CHLORO-2-PROPANOL HYDROCHLORIDE
CAS41052-94-2
Molecular FormulaC7H17Cl2NO
Molecular Weight202.12
InChIInChI=1S/C7H16ClNO.ClH/c1-7(2,3)9-5-6(10)4-8;/h6,9-10H,4-5H2,1-3H3;1H
InChIKey QWXUJPJVNKCDKJ-UHFFFAOYSA-N
SmilesC(C)(C)(C)NCC(O)CCl.Cl
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MassMS-IW-6994 1-tert-butylamino-3-chloro-2-propanol hydrochloride C7H16ClNO HCl (Mass of molecular ion: 165)
Source Temperature: 160 °C Sample Temperature: 170 °C Direct, 75 eV
15.0 3.5 17.0 1.0 18.0 5.4 26.0 2.5 27.0 7.9 28.0 10.0 29.0 20.7 30.0 93.4 31.0 3.5 35.0 5.5 36.0 57.7 37.0 2.0 38.0 19.1 39.0 10.5 40.0 2.4 41.0 40.0 42.0 14.3 43.0 6.7 44.0 3.9 45.0 1.1 49.0 1.3 51.0 1.1 52.0 1.0 53.0 2.0 54.0 2.8 55.0 9.5 56.0 14.5 57.0 76.4 58.0 18.4 59.0 1.5 60.0 54.1 61.0 1.5 68.0 2.5 70.0 21.9 71.0 4.6 72.0 2.1 74.0 1.0 75.0 3.0 77.0 1.2 82.0 1.0 83.0 2.4 84.0 1.9 85.0 1.9 86.0 100.0 87.0 6.1 92.0 1.3 96.0 8.9 98.0 5.3 108.0 1.6 114.0 9.4 116.0 6.3 129.0 8.3 130.0 1.0 132.0 23.7 133.0 1.7 134.0 7.8 150.0 54.2 151.0 4.0 152.0 17.5 153.0 1.2 166.0 1.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H16 Cl N O 0.041 g : 0.5 ml DMSO-d6 1-tert-butylamino-3-chloro-2-propanol hydrochloride 
Assign. Shift(ppm)
A *1 9.33 B *1 8.66 C 6.05 D 4.153 E *2 3.735 F *2 3.694 G *3 3.080 J *3 2.846 K 1.313
Hz ppm Int.2419.28 6.054 41 2414.55 6.042 41 1661.07 4.157 21 1503.60 3.763 21 1498.57 3.750 21 1492.31 3.735 62 1487.27 3.722 57 1482.24 3.709 60 1476.90 3.696 59 1470.95 3.681 23 1465.61 3.668 21 524.75 1.314 1000
in DMSO-d6
KBr disc
nujol mull
