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4-Benzyloxy-2-methylthio-6-[(triphenyl-.lambda.5-phosphanylidene)amino]pyrimidine
SpectraBase Compound ID 8abrUMlbzD7
InChI InChI=1S/C30H26N3OPS/c1-36-30-31-28(22-29(32-30)34-23-24-14-6-2-7-15-24)33-35(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-22H,23H2,1H3
InChIKey JDCRMMXSBIXYDV-UHFFFAOYSA-N
Mol Weight 507.59 g/mol
Molecular Formula C30H26N3OPS
Exact Mass 507.153421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OocP4oWnz4
Name 4-Benzyloxy-2-methylthio-6-[(triphenyl-.lambda.5-phosphanylidene)amino]pyrimidine
Appearance Colorless crystalline solid
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Exact Mass 507.153420640 u
Formula C30H26N3OPS
InChI InChI=1S/C30H26N3OPS/c1-36-30-31-28(22-29(32-30)34-23-24-14-6-2-7-15-24)33-35(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-22H,23H2,1H3
InChIKey JDCRMMXSBIXYDV-UHFFFAOYSA-N
Instrument Name Hewlett Packard Engine-5989
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4487
Molecular Weight 507.592 g/mol
Quality 961
SMILES C1(=NC(=NC(=C1)N=P(C1=CC=CC=C1)(C=1C=CC=CC1)C=1C=CC=CC1)SC)OCC1=CC=CC=C1
SPLASH splash10-0a59-3453890000-9899b7871305795d9862
Source of Spectrum Y-59-SM22-9b (DOI: 10.1002/jhet.4487)
Wiley ID 1892510