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a,a,a',a'-Tetradeuteropimelic acid
SpectraBase Compound ID 5TjpueAz0ar
InChI InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)/i4D2,5D2
InChIKey WLJVNTCWHIRURA-CQOLUAMGSA-N
Mol Weight 164.19 g/mol
Molecular Formula C7H8D4O4
Exact Mass 164.098666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HeMhJarYqQc
Name a,a,a',a'-Tetradeuteropimelic acid
Alternate Name(s) 1,5-(1,1,5,5,-Tetradeutero)pentanedicarboxylic acid
CAS Registry Number 111-16-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8D4O4
InChI InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)/i4D2,5D2
InChIKey WLJVNTCWHIRURA-CQOLUAMGSA-N
Molecular Weight 164.193 g/mol
SMILES OC(C(CCCC(C(=O)O)([D])[D])([D])[D])=O
SPLASH splash10-0a4i-9300000000-9589f89332436f1e3595
Source of Spectrum O-23-724-13
Wiley ID 1156595