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Added standard InChi key & string for R13I1

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Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/16843#section=Names-and-Identifiers
This commit is contained in:
Chris Neal
2018-05-11 12:30:26 -04:00
committed by GitHub
parent b224d651e5
commit 820797d41f
1 changed files with 3 additions and 3 deletions
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6
dev/fluids/R13I1.json
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@@ -250,8 +250,8 @@
"PH": -1
},
"FORMULA": "C_{1}F_{3}I_{1}",
"INCHI_KEY": "VPAYJEUHKVESSD-UHFFFAOYAR",
"INCHI_STRING": "InChI=1/CF3I/c2-1(3,4)5",
"INCHI_KEY": "VPAYJEUHKVESSD-UHFFFAOYSA-N",
"INCHI_STRING": "InChI=1S/CF3I/c2-1(3,4)5",
"NAME": "R13I1",
"REFPROP_NAME": "CF3I",
"SMILES": "C(F)(F)(F)I"
@@ -294,4 +294,4 @@
"smolar_units": "J/mol/K"
}
}
}
}