Product Name4-Chlorophthalic anhydride
CAS118-45-6
Molecular FormulaC8H3ClO3
Molecular Weight182.56
InChIInChI=1S/C8H3ClO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H
InChIKey BTTRMCQEPDPCPA-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C=C(Cl)C=C2)C(=O)O1
Mass
MS-IW-4950 4-chlorophthalic anhydride C8H3ClO3 (Mass of molecular ion: 182)
Source Temperature: 130 °C Sample Temperature: 110 °C Direct, 75 eV
28.0 1.4 36.0 1.4 37.0 9.1 37.5 3.0 38.0 3.1 49.0 3.7 50.0 11.3 51.0 3.6 53.0 1.3 55.0 12.5 55.5 1.2 56.0 4.2 60.0 1.6 61.0 2.3 62.0 1.5 63.0 1.3 69.0 6.3 70.0 2.0 72.0 1.3 73.0 9.9 74.0 31.5 75.0 43.2 76.0 3.3 77.0 1.7 84.0 5.6 86.0 1.7 103.0 1.0 108.0 1.0 109.0 1.5 110.0 63.5 111.0 4.7 112.0 20.7 113.0 1.4 138.0 100.0 139.0 8.0 140.0 33.1 141.0 2.6 154.0 2.7 156.0 2.7 182.0 73.8 183.0 6.6 184.0 27.5 185.0 2.4 226.0 3.7 228.0 3.6
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C8 H3 Cl O3 | 0.041 g : 0.5 ml DMSO-d6 |
4-chlorophthalic anhydride |
![]() |
Assign. Shift(ppm) |
Hz ppm Int.
3289.64 8.232 685 3289.03 8.230 790 3287.96 8.228 828 3287.35 8.226 698 3241.12 8.110 435 3240.51 8.109 381 3237.76 8.102 27 3237.15 8.100 28 3235.78 8.097 47 3233.03 8.090 1000 3232.27 8.088 894 3228.45 8.079 28 3227.84 8.077 27 3226.47 8.074 26 3222.35 8.063 845 3220.67 8.059 774 3216.40 8.049 30 3214.26 8.043 379 3212.43 8.039 331
in DMSO-d6
KBr disc
nujol mull
4-Chlorophthalic anhydride(118-45-6) 1H NMR Atlas of Related Products
HomePage | Member Companies | Advertising | Contact us | Previous WebSite | MSDS | CAS Index | CAS DataBase
Copyright © 2017 ChemicalBook All rights reserved.