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6-Ethoxycarbonyl-4-(4-chlorophenyl)-2,7-diphenyl-1,3-oxazepin
SpectraBase Compound ID 8pDZApfzYEv
InChI InChI=1S/C26H20ClNO3/c1-2-30-26(29)22-17-23(18-13-15-21(27)16-14-18)28-25(20-11-7-4-8-12-20)31-24(22)19-9-5-3-6-10-19/h3-17H,2H2,1H3
InChIKey ZJOAVLVPEOQVMN-UHFFFAOYSA-N
Mol Weight 429.9 g/mol
Molecular Formula C26H20ClNO3
Exact Mass 429.113171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nwfYjC1Xo1
Name 6-Ethoxycarbonyl-4-(4-chlorophenyl)-2,7-diphenyl-1,3-oxazepin
Alternate Name(s) Ethyl 4-(4-chlorophenyl)-2,7-diphenyl-1,3-oxazepine-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20ClNO3
InChI InChI=1S/C26H20ClNO3/c1-2-30-26(29)22-17-23(18-13-15-21(27)16-14-18)28-25(20-11-7-4-8-12-20)31-24(22)19-9-5-3-6-10-19/h3-17H,2H2,1H3
InChIKey ZJOAVLVPEOQVMN-UHFFFAOYSA-N
Molecular Weight 429.903 g/mol
SMILES C=1(OC(=C(C=C(N1)c1ccc(cc1)Cl)C(=O)OCC)c1ccccc1)c1ccccc1
SPLASH splash10-0a6r-2900600000-0ba4e3c68609edcf32a9
Source of Spectrum SO-1974-188-9
Wiley ID 1536850