Cyclobutyl bromide(4399-47-7) 1H NMR
Product NameCyclobutyl bromide
CAS4399-47-7
Molecular FormulaC4H7Br
Molecular Weight135
InChIInChI=1S/C4H7Br/c5-4-2-1-3-4/h4H,1-3H2
InChIKey KXVUSQIDCZRUKF-UHFFFAOYSA-N
SmilesC1(Br)CCC1
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MassMS2020-05814CM bromocyclobutane C4H7Br (Mass of molecular ion: 134)
Source Temperature: 235 °C Sample Temperature: 25 °C Direct, 70 eV
17.0 5.8 18.0 25.5 26.0 7.6 27.0 33.2 28.0 7.4 29.0 19.9 37.0 1.1 38.0 1.9 39.0 13.2 40.0 1.0 41.0 2.5 44.0 1.1 50.0 2.9 51.0 2.9 52.0 1.0 53.0 6.6 54.0 1.9 55.0 100.0 56.0 4.3 57.0 1.7 106.0 13.1 108.0 12.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H7 Br 0.01 ml : 0.5 ml CDCl3 bromocyclobutane 
Assign. Shift(ppm)
A 4.513 B *1 2.597 C *1 2.507 D *2 2.078 E *2 1.874
Hz ppm Int.1819.95 4.554 199 1819.21 4.553 201 1812.50 4.536 418 1811.65 4.534 574 1810.67 4.531 432 1805.18 4.517 300 1804.20 4.515 827 1803.34 4.513 845 1802.37 4.510 319 1796.75 4.496 431 1795.78 4.494 597 1794.92 4.492 459 1788.33 4.475 208 1787.60 4.473 212 1051.27 2.631 384 1048.34 2.624 315 1046.88 2.620 347 1046.14 2.618 337 1044.56 2.614 568 1043.82 2.612 625 1041.63 2.607 627 1040.41 2.604 491 1038.70 2.600 605 1037.11 2.596 523 1036.50 2.594 616 1036.01 2.593 529 1033.69 2.587 870 1033.08 2.585 672 1031.98 2.583 371 1031.13 2.581 486 1030.52 2.579 623 1029.17 2.576 489 1026.37 2.569 620 1023.19 2.561 520 1004.64 2.514 578 1003.78 2.512 424 1002.93 2.510 1000 1001.71 2.507 327 1000.00 2.503 728 996.22 2.493 383 994.38 2.489 922 993.16 2.486 752 991.58 2.482 734 990.23 2.478 754 984.74 2.465 698 981.81 2.457 745 980.10 2.453 322 836.55 2.094 358 835.69 2.092 418 825.68 2.067 472 824.95 2.065 452 762.94 1.910 353 761.23 1.905 347 753.17 1.885 732 752.08 1.882 364 751.46 1.881 343 750.37 1.878 325 743.41 1.861 443 742.31 1.858 611
in CDCl3
Liquid film
