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Palmitic acid-d31

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Palmitic acid-d31
SpectraBase Compound ID H3RptIVyKzk
InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
InChIKey IPCSVZSSVZVIGE-SAQPIRCFSA-N
Mol Weight 287.62 g/mol
Molecular Formula C16H2D31O2
Exact Mass 287.434809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXXkNSbr468
Name 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoic acid
Alternate Name(s) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriopalmitic acid
CAS Registry Number 39756-30-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16HD31O2
InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
InChIKey IPCSVZSSVZVIGE-SAQPIRCFSA-N
Molecular Weight 287.619 g/mol
SMILES OC(=O)C(C(C(C(C(C(C(C(C(C(C(C(C(C(C([2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D]
SPLASH splash10-03fr-9320000000-b1e660f700e521b6f9ca
Source of Spectrum EP-5162-0-0
Wiley ID 1260235