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2-(1-benzotriazolyl)-1-(4-methylphenyl)-2-tributylphosphoranylideneethanone
SpectraBase Compound ID GRmiXmto9Zc
InChI InChI=1S/C27H38N3OP/c1-5-8-19-32(20-9-6-2,21-10-7-3)27(26(31)23-17-15-22(4)16-18-23)30-25-14-12-11-13-24(25)28-29-30/h11-18H,5-10,19-21H2,1-4H3
InChIKey JKTCQDPDGWQTII-UHFFFAOYSA-N
Mol Weight 451.6 g/mol
Molecular Formula C27H38N3OP
Exact Mass 451.27525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vfioR5h4gN
Name 2-(1-benzotriazolyl)-1-(4-methylphenyl)-2-tributylphosphoranylideneethanone
Alternate Name(s) 2-(benzotriazol-1-yl)-1-(p-tolyl)-2-tributylphosphoranylidene-ethanone 2-(benzotriazol-1-yl)-1-(p-tolyl)-2-(tributyl-$l^{5}-phosphanylidene)ethanone
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Formula C27H38N3OP
InChI InChI=1S/C27H38N3OP/c1-5-8-19-32(20-9-6-2,21-10-7-3)27(26(31)23-17-15-22(4)16-18-23)30-25-14-12-11-13-24(25)28-29-30/h11-18H,5-10,19-21H2,1-4H3
InChIKey JKTCQDPDGWQTII-UHFFFAOYSA-N
Molecular Weight 451.595 g/mol
SMILES c12nn[n](c2cccc1)C(C(c1ccc(cc1)C)=O)=P(CCCC)(CCCC)CCCC
SPLASH splash10-002f-9700000000-f580eae09279a4e2c0bc
Source of Spectrum KC-0-3110-2
Wiley ID 823680