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1,3,5-Trideuterio-2-isocyano-benzene
SpectraBase Compound ID IUNKE3gFQ6M
InChI InChI=1S/C7H5N/c1-8-7-5-3-2-4-6-7/h2-6H/i2D,5D,6D
InChIKey RCIBIGQXGCBBCT-UJESMPABSA-N
Mol Weight 106.14 g/mol
Molecular Formula C7H2D3N
Exact Mass 106.061029 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CuyQEZN42ae
Name 1,3,5-Trideuterio-2-isocyano-benzene
Alternate Name(s) Isocyanobenzene-2,4,6-D3
CAS Registry Number 51524-87-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H2D3N
InChI InChI=1S/C7H5N/c1-8-7-5-3-2-4-6-7/h2-6H/i2D,5D,6D
InChIKey RCIBIGQXGCBBCT-UJESMPABSA-N
Molecular Weight 106.142 g/mol
SMILES c1([N+]#[C-])c(cc(cc1[D])[D])[D]
SPLASH splash10-0a4i-7900000000-58e5a51f5174fa8945a8
Source of Spectrum T-68-769-0
Wiley ID 1120836