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10-Hexadecyl-1-nitro-3-phenoxydibenzo[b,f][1,4]oxazepin-11(10H)-one
SpectraBase Compound ID 10IkDepKkoN
InChI InChI=1S/C35H44N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-36-30-23-18-19-24-32(30)42-33-27-29(41-28-21-16-15-17-22-28)26-31(37(39)40)34(33)35(36)38/h15-19,21-24,26-27H,2-14,20,25H2,1H3
InChIKey OXOOVTKYMPPCCV-UHFFFAOYSA-N
Mol Weight 572.7 g/mol
Molecular Formula C35H44N2O5
Exact Mass 572.325023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 982K2loD4fh
Name 10-Hexadecyl-1-nitro-3-phenoxydibenzo[b,f][1,4]oxazepin-11(10H)-one
Alternate Name(s) 5-cetyl-7-nitro-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one 5-Hexadecyl-7-nitro-9-phenoxy-6-benzo[b][1,4]benzoxazepinone 5-Hexadecyl-7-nitro-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one
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Formula C35H44N2O5
InChI InChI=1S/C35H44N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-36-30-23-18-19-24-32(30)42-33-27-29(41-28-21-16-15-17-22-28)26-31(37(39)40)34(33)35(36)38/h15-19,21-24,26-27H,2-14,20,25H2,1H3
InChIKey OXOOVTKYMPPCCV-UHFFFAOYSA-N
Molecular Weight 572.746 g/mol
SMILES C1(c2c(N(=O)=O)cc(cc2Oc2c(N1CCCCCCCCCCCCCCCC)cccc2)Oc1ccccc1)=O
SPLASH splash10-0006-9211000000-2c51dee804c09aa2783e
Wiley ID 1445811