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3,3'-(butane-1,4-diyl)bis(1-methyl-4-oxo-3,4-dihydrobenzo[d][1,3,2]diazaphosphinine-2(1H)-carbonitrile)
SpectraBase Compound ID 66LqjHW9qJh
InChI InChI=1S/C22H22N6O2P2/c1-25-19-11-5-3-9-17(19)21(29)27(31(25)15-23)13-7-8-14-28-22(30)18-10-4-6-12-20(18)26(2)32(28)16-24/h3-6,9-12H,7-8,13-14H2,1-2H3
InChIKey ICIPEQBTPUKVKD-UHFFFAOYSA-N
Mol Weight 464.41 g/mol
Molecular Formula C22H22N6O2P2
Exact Mass 464.127948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSdsoZi7jLK
Name 3,3'-(butane-1,4-diyl)bis(1-methyl-4-oxo-3,4-dihydrobenzo[d][1,3,2]diazaphosphinine-2(1H)-carbonitrile)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N6O2P2
InChI InChI=1S/C22H22N6O2P2/c1-25-19-11-5-3-9-17(19)21(29)27(31(25)15-23)13-7-8-14-28-22(30)18-10-4-6-12-20(18)26(2)32(28)16-24/h3-6,9-12H,7-8,13-14H2,1-2H3
InChIKey ICIPEQBTPUKVKD-UHFFFAOYSA-N
Literature Reference DOI 10.1002_1521-3749(200008)626_8_1763
Molecular Weight 464.406 g/mol
SMILES C(CN1C(c2ccccc2N(P1C#N)C)=O)CCN1P(N(c2c(C1=O)cccc2)C)C#N
SPLASH splash10-000i-0200900000-dbce7dd70492ced0c631
Source of Spectrum DZ-626-1770-3c
Wiley ID 1798293