3-Chlorobenzaldehyde(587-04-2) MS
Product Name3-Chlorobenzaldehyde
CAS587-04-2
Molecular FormulaC7H5ClO
Molecular Weight140.57
InChIInChI=1S/C7H5ClO/c8-7-3-1-2-6(4-7)5-9/h1-5H
InChIKey SRWILAKSARHZPR-UHFFFAOYSA-N
SmilesC(=O)C1=CC=CC(Cl)=C1
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MassMS-NW-3732 m-chlorobenzaldehyde C7H5ClO (Mass of molecular ion: 140)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 1.9 28.0 1.7 29.0 4.9 37.0 3.9 37.5 1.1 38.0 4.5 39.0 2.1 49.0 3.0 50.0 22.6 51.0 19.3 52.0 1.5 61.0 2.4 62.0 1.6 63.0 1.5 73.0 3.5 74.0 11.6 75.0 29.4 76.0 10.5 77.0 26.6 78.0 1.8 84.0 1.6 85.0 3.9 86.0 1.3 87.0 1.3 91.0 2.9 111.0 56.0 112.0 10.4 113.0 18.4 114.0 3.3 139.0 100.0 140.0 82.2 141.0 38.7 142.0 26.5 143.0 2.4 155.0 10.3 156.0 1.1 157.0 3.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H5 Cl O 0.04 ml : 0.5 ml CDCl3 m-chlorobenzaldehyde 
Assign. Shift(ppm)
A 9.965 B 7.82 C 7.76 D 7.59 E 7.48 CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.892.38 9.965 1000 703.64 7.857 142 702.76 7.847 194 702.17 7.841 296 701.51 7.833 339 700.85 7.826 271 700.05 7.817 612 699.39 7.810 342 698.58 7.801 136 698.07 7.795 318 696.39 7.776 124 693.31 7.742 302 691.99 7.727 243 691.33 7.720 412 689.79 7.702 317 687.23 7.674 41 686.28 7.663 70 684.30 7.641 203 682.25 7.618 155 678.30 7.574 503 676.39 7.553 766 675.29 7.541 339 674.93 7.537 416 674.34 7.530 665 668.99 7.470 32 668.55 7.465 168 668.12 7.461 187 667.82 7.457 200 667.38 7.452 237 666.50 7.442 78 666.21 7.439 73 665.41 7.430 31 660.57 7.376 64 660.21 7.372 74 659.91 7.369 79 659.55 7.365 66
in CDCl3
KBr disc
liquid film
nujol mull
