[11,11,11,12,12,12-2H5]-9-Dodecynoic acid

SpectraBase Compound ID	BXacP1Dju5Y
InChI	InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2,5-11H2,1H3,(H,13,14)/i1D3,2D2
InChIKey	HYOZJFRCDNPNCU-ZBJDZAJPSA-N Google Search
Mol Weight	201.32 g/mol
Molecular Formula	C12H152D5O2
Exact Mass	201.177714 g/mol

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SpectraBase Spectrum ID	35t5U5wYLwV
Name	[11,11,11,12,12,12-2H5]-9-Dodecynoic acid
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H15D5O2
InChI	InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2,5-11H2,1H3,(H,13,14)/i1D3,2D2
InChIKey	HYOZJFRCDNPNCU-ZBJDZAJPSA-N
Molecular Weight	201.321 g/mol
SMILES	OC(CCCCCCCC#CC(C([2D])([2D])[2D])([2D])[2D])=O
SPLASH	splash10-000i-9000000000-22da23287461276a150d
Source of Spectrum	SO-0-251-6
Wiley ID	1539904