3,4,5,6-Tetrahydrophthalic anhydride(2426-02-0) IR2
Product Name3,4,5,6-Tetrahydrophthalic anhydride
CAS2426-02-0
Molecular FormulaC8H8O3
Molecular Weight152.15
InChIInChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H2
InChIKey HMMBJOWWRLZEMI-UHFFFAOYSA-N
SmilesC1(=O)C2=C(CCCC2)C(=O)O1
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MassMS-NW-7831 3,4,5,6-tetrahydrophthalic anhydride C8H8O3 (Mass of molecular ion: 152)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 1.9 26.0 3.3 27.0 12.1 28.0 3.7 37.0 1.9 38.0 6.2 39.0 19.9 39.5 1.1 40.0 4.2 41.0 5.2 49.0 1.2 50.0 12.8 51.0 22.4 52.0 37.9 53.0 7.0 54.0 1.7 55.0 3.2 62.0 1.2 63.0 3.4 65.0 5.0 66.0 4.4 74.0 2.0 75.0 1.0 76.0 1.2 77.0 14.8 78.0 5.6 79.0 100.0 80.0 43.3 81.0 3.0 107.0 3.4 108.0 84.3 109.0 6.7 152.0 16.7 153.0 2.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H8 O3 0.030 g : 0.5 ml DMSO-d6 3,4,5,6-tetrahydrophthalic anhydride 
Assign. Shift(ppm)
A 2.330 B 1.696
Hz ppm Int.940.31 2.353 58 937.01 2.345 298 933.59 2.337 393 930.91 2.330 1000 928.47 2.324 405 924.80 2.315 315 921.63 2.307 61 687.99 1.722 48 683.96 1.712 324 680.54 1.703 446 677.98 1.697 934 675.42 1.691 428 671.88 1.682 295 667.85 1.672 49 666.50 1.668 36
in DMSO-d6
KBr disc
nujol mull
