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3,4-Dimethyl-2-(6-oxo-7,11-diazatricyclo[7.3.1.0(2,7)]trideca-2(3),4-dien-11-yl)-5-phenyl-1,3,2-oxazaphospholidine-2-sulfide
SpectraBase Compound ID 7qvbDfkj2WJ
InChI InChI=1S/C21H26N3O2PS/c1-15-21(17-7-4-3-5-8-17)26-27(28,22(15)2)23-12-16-11-18(14-23)19-9-6-10-20(25)24(19)13-16/h3-10,15-16,18,21H,11-14H2,1-2H3/t15?,16-,18?,21?,27?/m0/s1
InChIKey IRTRVSWCZQIBHL-QJMVGDOVSA-N
Mol Weight 415.49 g/mol
Molecular Formula C21H26N3O2PS
Exact Mass 415.148335 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2J7ppH8C1u0
Name 3,4-Dimethyl-2-(6-oxo-7,11-diazatricyclo[7.3.1.0(2,7)]trideca-2(3),4-dien-11-yl)-5-phenyl-1,3,2-oxazaphospholidine-2-sulfide
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Formula C21H26N3O2PS
InChI InChI=1S/C21H26N3O2PS/c1-15-21(17-7-4-3-5-8-17)26-27(28,22(15)2)23-12-16-11-18(14-23)19-9-6-10-20(25)24(19)13-16/h3-10,15-16,18,21H,11-14H2,1-2H3/t15?,16-,18?,21?,27?/m0/s1
InChIKey IRTRVSWCZQIBHL-QJMVGDOVSA-N
Molecular Weight 415.492 g/mol
SMILES C1(C(N(P(O1)(=S)N1C[C@@]2(CC(C1)C=1N(C2)C(=O)C=CC1)[H])C)C)c1ccccc1
SPLASH splash10-0005-8900000000-aebeb565e4caab5b4292
Wiley ID 1468731