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3-[Phenylallylidene]-6-nitro-2,3-dihydrobenzo[1,3,2]-oxaborole
SpectraBase Compound ID L8AktYT8u0L
InChI InChI=1S/C27H21BN2O3/c31-30(32)25-18-19-26(29-20-10-13-22-11-4-1-5-12-22)27(21-25)33-28(23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-21H/b13-10+,29-20+
InChIKey ODUIKKIWNKKDPK-NJGRSDFFSA-N
Mol Weight 432.3 g/mol
Molecular Formula C27H21BN2O3
Exact Mass 432.164523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40iCwXan38O
Name 3-[Phenylallylidene]-6-nitro-2,3-dihydrobenzo[1,3,2]-oxaborole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21BN2O3
InChI InChI=1S/C27H21BN2O3/c31-30(32)25-18-19-26(29-20-10-13-22-11-4-1-5-12-22)27(21-25)33-28(23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-21H/b13-10+,29-20+
InChIKey ODUIKKIWNKKDPK-NJGRSDFFSA-N
Molecular Weight 432.286 g/mol
SMILES c1(N(=O)=O)cc(OB(c2ccccc2)c2ccccc2)c(cc1)\N=C\C=C\c1ccccc1
SPLASH splash10-0a4i-0229000000-e41ae4f29cbcc6db2fe2
Source of Spectrum C3-33-1695-2b
Wiley ID 1696325