1,4-Butanediol(110-63-4) MS
Product Name1,4-Butanediol
CAS110-63-4
Molecular FormulaC4H10O2
Molecular Weight90.12
InChIInChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
InChIKey WERYXYBDKMZEQL-UHFFFAOYSA-N
SmilesC(O)CCCO
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MassMS-NW-1818 1,4-butanediol C4H10O2 (Mass of molecular ion: 90)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.0 15.0 5.6 18.0 3.1 19.0 4.2 26.0 3.7 27.0 23.5 28.0 6.9 29.0 18.9 30.0 1.8 31.0 94.1 32.0 2.3 33.0 1.1 38.0 1.7 39.0 13.8 40.0 6.3 41.0 40.7 42.0 100.0 43.0 15.0 44.0 81.6 45.0 6.1 53.0 2.2 54.0 1.5 55.0 2.0 57.0 21.7 58.0 1.2 59.0 1.3 60.0 4.4 62.0 2.3 71.0 24.0 72.0 8.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H10 O2 0.05 ml : 0.5 ml DMSO-d6 1,4-butanediol 
Assign. Shift(ppm)
A 4.50 B 3.408 C 1.447
Hz ppm Int.1804.20 4.515 561 1799.07 4.502 1000 1793.82 4.489 611 1371.09 3.431 219 1370.12 3.429 205 1368.53 3.425 215 1367.19 3.421 284 1365.84 3.418 422 1364.87 3.416 639 1362.18 3.409 420 1360.72 3.405 394 1359.62 3.403 666 1358.52 3.400 508 1355.96 3.393 266 1354.37 3.389 241 1353.27 3.387 274 585.57 1.466 361 584.72 1.464 300 582.03 1.457 469 579.22 1.450 950 576.42 1.443 503 573.97 1.437 335 573.00 1.434 427
in DMSO-d6
in CDCl3
liquid film
4880 A,200 M,liquid
