2-異硫氰基苯甲酸甲酯(16024-82-1)紅外圖譜(IR1)
InChI:InChI=1S/C9H7NO2S/c1-12-9(11)7-4-2-3-5-8(7)10-6-13/h2-5H,1H3
InChIKey: UNXVHBOJSCWVCD-UHFFFAOYSA-N
Smiles:C(OC)(=O)C1=CC=CC=C1N=C=S
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Mass
MS2001-00814WA
2-isothiocyanatobenzoic acid methyl ester
C9H7NO2S (Mass of molecular ion: 193)
Source Temperature: 300 °C
Sample Temperature: 260 °C
Reservoir, 70 eV
15.0 1.2
28.0 1.0
38.0 1.1
39.0 2.9
44.0 1.4
50.0 6.1
51.0 2.2
62.0 1.2
63.0 5.5
64.0 4.0
69.0 1.0
74.0 3.3
75.0 5.3
76.0 4.3
77.0 1.9
81.0 1.9
90.0 15.2
91.0 1.6
92.0 1.1
102.0 2.7
104.0 1.3
107.0 3.8
108.0 2.4
119.0 2.4
130.0 2.3
133.0 2.3
134.0 38.5
135.0 9.5
136.0 3.1
146.0 8.7
147.0 1.7
148.0 1.0
150.0 1.1
162.0 100.0
163.0 12.3
164.0 6.4
165.0 4.5
177.0 3.4
192.0 1.2
193.0 74.8
194.0 8.1
195.0 4.0