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Update identifiers for two chemical compounds
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longemen3000 authored Mar 17, 2026
commit c6845a5fd325236157d8ce57ee32606bdd3de442
14 changes: 7 additions & 7 deletions parameters/ideal_gas/burkhardt2025.json
Original file line number Diff line number Diff line change
Expand Up @@ -11935,9 +11935,9 @@
},
{
"identifier": {
"cas": "558-15-6",
"name": "",
"iupac_name": "",
"cas": "1511-62-2",
"name": "bromodifluoromethane",
"iupac_name": "bromo(difluoro)methane",
"formula": "CHBrF2",
"smiles": "FC(F)Br",
"inchi": "InChI=1S/CHBrF2/c2-1(3)4/h1H/i1D"
Expand Down Expand Up @@ -19738,9 +19738,9 @@
},
{
"identifier": {
"cas": "6928-45-6",
"name": "",
"iupac_name": "",
"cas": "540-49-8",
"name": "1,2-dibromoethylene",
"iupac_name": "1,2-dibromoethene",
"formula": "C2H2Br2",
"smiles": "BrC=CBr",
"inchi": "InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1-/i1D,2D"
Expand All @@ -19753,4 +19753,4 @@
533.2223230352424
]
}
]
]
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