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(2S,5S)-(+)-Hexanediol(34338-96-0) MS
Product Name(2S,5S)-(+)-Hexanediol
CAS34338-96-0
Molecular FormulaC6H14O2
Molecular Weight118.17
InChIInChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKey OHMBHFSEKCCCBW-WDSKDSINSA-N
SmilesC[C@H](O)CC[C@@H](O)C
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MassMS2001-00860WA (2S,5S)-hexane-2,5-diol C6H14O2 (Mass of molecular ion: 118)
Source Temperature: 300 °C Sample Temperature: 260 °C Reservoir, 70 eV
15.0 2.2 18.0 1.3 19.0 2.0 27.0 9.1 28.0 1.6 29.0 10.9 31.0 4.1 39.0 7.0 40.0 2.4 41.0 47.7 42.0 2.3 43.0 41.5 44.0 4.5 45.0 72.1 46.0 1.6 47.0 1.3 53.0 2.2 54.0 1.7 55.0 14.8 56.0 100.0 57.0 17.2 58.0 16.6 59.0 2.7 63.0 1.2 67.0 13.4 71.0 2.2 83.0 2.7 85.0 47.9 86.0 2.6 98.0 1.5 99.0 1.6 171.0 1.1
