Product Name4-CHLORO-6-NITRO-M-CRESOL
CAS7147-89-9
Molecular FormulaC7H6ClNO3
Molecular Weight187.58
InChIInChI=1S/C7H6ClNO3/c1-4-2-7(10)6(9(11)12)3-5(4)8/h2-3,10H,1H3
InChIKey JBMGJOKJUYGIJH-UHFFFAOYSA-N
SmilesC1(O)=CC(C)=C(Cl)C=C1[N+]([O-])=O
Mass
MS-IW-0709 4-chloro-6-nitro-m-cresol C7H6ClNO3 (Mass of molecular ion: 187)
Source Temperature: 130 °C Sample Temperature: 110 °C Direct, 75 eV
28.0 1.1 30.0 1.0 39.0 2.0 50.0 2.1 51.0 7.6 52.0 1.2 53.0 2.5 63.0 1.6 65.0 2.6 73.0 1.1 75.0 2.3 76.0 1.1 77.0 21.8 78.0 3.5 87.0 1.0 89.0 1.2 90.0 2.3 94.0 1.2 99.0 1.0 105.0 1.1 111.0 1.1 112.0 2.9 113.0 4.0 114.0 1.2 115.0 1.3 129.0 4.5 131.0 1.5 139.0 1.4 141.0 7.9 142.0 2.0 143.0 2.5 157.0 4.5 159.0 1.5 170.0 4.7 172.0 1.5 187.0 100.0 188.0 8.1 189.0 32.6 190.0 2.7
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C7 H6 Cl N O3 | 0.041 g : 0.5 ml CDCl3 |
4-chloro-6-nitro-m-cresol |
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Assign. Shift(ppm) |
Hz ppm Int.
4170.33 10.435 622 3228.49 8.079 414 2817.10 7.049 281 2816.73 7.048 291 2816.37 7.048 278 966.57 2.419 983 966.20 2.418 1000 965.84 2.417 943
in CDCl3
KBr disc
nujol mull
4-CHLORO-6-NITRO-M-CRESOL(7147-89-9) IR2 Atlas of Related Products
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