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7-Methyl-1-(4-methylphenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one hydrochloride
SpectraBase Compound ID KSpU9uiWE7I
InChI InChI=1S/C21H16N2O5.Cl/c1-12-3-6-15(7-4-12)27-18-10-14(23(25)26)11-19-20(18)21(24)22-16-8-5-13(2)9-17(16)28-19;/h3-11H,1-2H3,(H,22,24);
InChIKey PDBSRVACEZGREO-UHFFFAOYSA-N
Mol Weight 411.82 g/mol
Molecular Formula C21H16ClN2O5
Exact Mass 411.074774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I22grcXgUVK
Name 7-Methyl-1-(4-methylphenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one hydrochloride
Alternate Name(s) 7-Methyl-3-nitro-1-p-tolyloxy-10H-dibenzo[b,f][1,4]oxazepin-11-one hydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClN2O5
InChI InChI=1S/C21H16N2O5.Cl/c1-12-3-6-15(7-4-12)27-18-10-14(23(25)26)11-19-20(18)21(24)22-16-8-5-13(2)9-17(16)28-19;/h3-11H,1-2H3,(H,22,24);
InChIKey PDBSRVACEZGREO-UHFFFAOYSA-N
Molecular Weight 412.829 g/mol
SMILES Cl.N1c2c(Oc3c(C1=O)c(cc(c3)N(=O)=O)Oc1ccc(cc1)C)cc(cc2)C
SPLASH splash10-000f-9301000000-b64f4a0a73bec0c4374c
Wiley ID 1442099