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Added standard InChi key & string for Ammonia

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Values obtained using IUPAC winchi-1 software from Molfile: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=16134
This commit is contained in:
Chris Neal
2018-05-09 23:19:57 -04:00
committed by GitHub
parent 51a199998f
commit 17dcabdf35
1 changed files with 3 additions and 3 deletions
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6
dev/fluids/Ammonia.json
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@@ -398,8 +398,8 @@
"PH": 0
},
"FORMULA": "H_{3}N_{1}",
"INCHI_KEY": "QGZKDVFQNNGYKY-UHFFFAOYAF",
"INCHI_STRING": "InChI=1/H3N/h1H3",
"INCHI_KEY": "QGZKDVFQNNGYKY-UHFFFAOYSA-N",
"INCHI_STRING": "InChI=1S/H3N/h1H3",
"NAME": "Ammonia",
"REFPROP_NAME": "AMMONIA",
"SMILES": "N"
@@ -634,4 +634,4 @@
"sigma_eta_units": "m"
}
}
}
}