TERT-BUTYL ISOTHIOCYANATE(590-42-1) MS
Molecular FormulaC5H9NS
Molecular Weight115.2
InChIInChI=1S/C5H9NS/c1-5(2,3)6-4-7/h1-3H3
InChIKey ZFWFRTVIIMTOLY-UHFFFAOYSA-N
SmilesCC(N=C=S)(C)C
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![](https://www.chemicalbook.com/Spectrum/590-42-1_MS.gif)
Mass
MS-NW-5849
tert-butyl isothiocyanate
C5H9NS (Mass of molecular ion: 115)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 2.7
26.0 1.2
27.0 9.2
28.0 2.1
29.0 49.3
30.0 1.1
32.0 1.2
38.0 1.8
39.0 17.6
40.0 3.0
41.0 77.2
42.0 4.5
44.0 1.4
45.0 1.3
50.0 1.0
53.0 1.4
55.0 6.5
56.0 7.3
57.0 100.0
58.0 5.0
59.0 3.4
60.0 2.6
72.0 7.5
84.0 1.5
100.0 15.4
101.0 1.0
115.0 58.3
116.0 4.2
117.0 2.8
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![](https://www.chemicalbook.com/Spectrum/590-42-1_1HNMR.gif)
1H NMR |
300 MHz |
C5 H9 N S
|
0.04 ml : 0.5 ml CDCl3
|
tert-butyl isothiocyanate
|
![ChemicalStructure](Spectrum/590-42-1_1HNMR_2_0.jpg) |
Parameter ppm Hz
D(A) 1.433
|
Hz ppm Int.
429.90 1.433 1000