2-Aminobenzenethiol(137-07-5) MS
Product Name2-Aminobenzenethiol
CAS137-07-5
Molecular FormulaC6H7NS
Molecular Weight125.19
InChIInChI=1S/C6H7NS/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
InChIKey VRVRGVPWCUEOGV-UHFFFAOYSA-N
SmilesC1(S)=CC=CC=C1N
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MassMS-NW-3196 o-aminobenzenethiol C6H7NS (Mass of molecular ion: 125)
Source Temperature: 290 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.2 27.0 1.1 28.0 2.3 37.0 1.1 38.0 2.4 39.0 5.5 41.0 1.7 45.0 5.0 50.0 1.4 51.0 2.4 52.0 3.7 53.0 5.9 54.0 1.7 58.0 1.2 60.0 1.6 61.5 1.9 62.0 1.8 62.5 3.4 63.0 4.4 64.0 2.6 65.0 6.7 66.0 3.4 67.0 1.2 69.0 4.4 70.0 1.9 71.0 1.3 80.0 26.9 81.0 12.5 82.0 1.3 84.0 1.9 90.0 1.1 91.0 2.5 92.0 3.4 93.0 21.8 94.0 1.7 95.0 1.4 96.0 2.3 97.0 12.9 98.0 6.7 99.0 2.6 108.0 3.1 124.0 25.0 125.0 100.0 126.0 8.9 127.0 4.8 248.0 2.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H7 N S 0.05 ml : 0.5 ml CDCl3 o-aminobenzenethiol 
Assign. Shift(ppm)
A 7.304 B 7.040 C 6.64 D 6.64 E 3.68
Hz ppm Int.659.56 7.365 457 657.94 7.347 489 657.50 7.342 453 656.69 7.333 135 654.38 7.307 134 651.50 7.275 563 650.31 7.262 623 649.88 7.257 587 640.44 7.151 311 638.81 7.133 303 632.81 7.066 568 631.75 7.054 363 630.69 7.043 459 625.25 6.982 721 623.63 6.964 618 602.50 6.728 200 600.94 6.710 1000 599.44 6.694 986 598.13 6.679 780 596.63 6.662 54 595.88 6.654 38 594.81 6.642 423 594.25 6.636 687 593.31 6.625 511 592.75 6.619 358 591.88 6.609 488 591.50 6.605 386 590.38 6.593 367 590.00 6.588 415 587.19 6.557 409 585.69 6.540 314 329.94 3.685 203
in CDCl3
liquid film
