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Topic Title: Chemical Formula higher by 2 hydrogens
Topic Summary: Conversion from structure to formula adds 2 extra hydrogens and extra 2 amu to Mw
Created On: 7/12/2020 6:18 PM
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7/12/2020 6:18 PM
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leo

Posts: 1
Joined: 4/26/2009

I keep getting an addition of 2 extra hydrogens (2 amu) to the molecular weight of some structures converted from SMILES strings. This seems to happen only for a subset of structures that are somewhat more complicated. I have Chemoffice 19 plug-in for Excel 365 ( windows 10). When I use ChemDraw or our internal tools the problematic structures are converted to formula and Mw correctly. I only see the error in Excel.

Leo
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7/16/2020 11:04 AM
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CS RNA

Posts: 691
Joined: 2/25/2009

Since you have this issue with specific structures; please visit http://informatics.perkinelmer.com/Support/Contact/ to submit a ticket (or send an email to informatics.support@perkinelmer.com) along with sample ChemDraw document with that structure, to get assistance from our Tech Support Team.



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