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5-Nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzonitrile
SpectraBase Compound ID IpmuEBSXnYg
InChI InChI=1S/C13H15BN2O4/c1-12(2)13(3,4)20-14(19-12)11-6-5-10(16(17)18)7-9(11)8-15/h5-7H,1-4H3
InChIKey MRYIGPKVRYDIFO-UHFFFAOYSA-N
Mol Weight 274.1 g/mol
Molecular Formula C13H15BN2O4
Exact Mass 274.112487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID NQ7Ct1sdp1
Name 5-Nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzonitrile
Alternate Name(s) 5-Nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 5-Nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15BN2O4
InChI InChI=1S/C13H15BN2O4/c1-12(2)13(3,4)20-14(19-12)11-6-5-10(16(17)18)7-9(11)8-15/h5-7H,1-4H3
InChIKey MRYIGPKVRYDIFO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo402618r
Molecular Weight 274.083 g/mol
SMILES C1(OB(c2ccc(cc2C#N)[N+](=O)[O-])OC1(C)C)(C)C
SPLASH splash10-0a7i-1590000000-182aae2557240af00e4e
Source of Spectrum J-79-1983-2g
Wiley ID 1746024