cis-1,2,3,6-Tetrahydrophthalic anhydride(935-79-5) MS
Product Namecis-1,2,3,6-Tetrahydrophthalic anhydride
CAS935-79-5
Molecular FormulaC8H8O3
Molecular Weight152.15
InChIInChI=1/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2/t5-,6+
InChIKey KMOUUZVZFBCRAM-OLQVQODUNA-N
SmilesC1(=O)[C@]2([H])[C@@]([H])(CC=CC2)C(=O)O1 |&1:2,4,r|
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MassMS-NW-1563 cis-4-cyclohexene-1,2-dicarboxylic anhydride C8H8O3 (Mass of molecular ion: 152)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
26.0 4.3 27.0 14.5 28.0 2.3 37.0 1.8 38.0 4.3 39.0 20.4 39.5 1.7 40.0 3.8 41.0 2.9 49.0 1.0 50.0 6.9 51.0 11.0 52.0 7.3 53.0 4.9 54.0 2.6 63.0 2.0 65.0 4.1 77.0 14.3 78.0 8.8 79.0 100.0 80.0 50.0 81.0 3.3 123.0 4.4 124.0 36.4 125.0 2.8
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H8 O3 0.042 g : 0.5 ml DMSO-d6 cis-4-cyclohexene-1,2-dicarboxylic anhydride 
Assign. Shift(ppm)
A 5.951 B 3.519 C *1 2.399 D *1 2.262
Hz ppm Int.2391.36 5.984 82 2390.38 5.982 48 2388.92 5.978 55 2388.18 5.976 45 2381.96 5.961 815 2380.74 5.958 794 2378.66 5.952 1000 2376.83 5.948 744 2376.34 5.947 760 2375.12 5.944 829 2369.26 5.929 57 2367.80 5.925 65 2367.07 5.923 62 2365.72 5.920 91 1419.07 3.551 76 1417.72 3.548 41 1412.11 3.534 413 1410.28 3.529 643 1409.18 3.527 795 1406.98 3.521 791 1406.37 3.520 766 1404.30 3.514 847 1403.08 3.511 687 1401.25 3.507 446 1396.36 3.494 59 1394.29 3.489 89 1391.85 3.483 32 974.85 2.440 71 974.12 2.438 79 972.05 2.433 241 971.56 2.432 239 970.21 2.428 325 967.53 2.421 310 966.43 2.419 294 964.48 2.414 183 961.55 2.406 56 961.06 2.405 55 958.01 2.398 252 956.18 2.393 455 954.83 2.390 522 954.35 2.388 488 952.88 2.385 538 952.39 2.384 531 950.93 2.380 423 950.56 2.379 421 947.63 2.372 144 945.31 2.366 51 943.97 2.362 41 942.14 2.358 38 920.78 2.304 33 919.80 2.302 47 918.33 2.298 77 917.72 2.297 69 916.75 2.294 98 914.31 2.288 369 912.72 2.284 379 910.03 2.278 383 908.81 2.275 439 907.96 2.272 328 906.62 2.269 369 905.27 2.266 332 901.49 2.256 78 899.05 2.250 239 897.95 2.247 245 895.75 2.242 258 894.53 2.239 242 892.33 2.233 204 891.24 2.231 232 890.14 2.228 223 888.43 2.224 84 886.23 2.218 62 884.77 2.214 41
KBr disc
nujol mull
4880 A,200 M,powder
