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Dimethyl 2,4-diphenyl-3-benzoxepine-1,5-dicarboxylate
SpectraBase Compound ID 6MtdecKdVm4
InChI InChI=1S/C26H20O5/c1-29-25(27)21-19-15-9-10-16-20(19)22(26(28)30-2)24(18-13-7-4-8-14-18)31-23(21)17-11-5-3-6-12-17/h3-16H,1-2H3
InChIKey YAXXBTNQJSPWAP-UHFFFAOYSA-N
Mol Weight 412.44 g/mol
Molecular Formula C26H20O5
Exact Mass 412.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JiYg1Shi8Jg
Name Dimethyl 2,4-diphenyl-3-benzoxepine-1,5-dicarboxylate
Alternate Name(s) Dimethyl 2,4-diphenyl-3-benzoxepin-1,5-dicarboxylate
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Formula C26H20O5
InChI InChI=1S/C26H20O5/c1-29-25(27)21-19-15-9-10-16-20(19)22(26(28)30-2)24(18-13-7-4-8-14-18)31-23(21)17-11-5-3-6-12-17/h3-16H,1-2H3
InChIKey YAXXBTNQJSPWAP-UHFFFAOYSA-N
Molecular Weight 412.441 g/mol
SMILES C1(=C(OC(c2ccccc2)=C(c2c1cccc2)C(=O)OC)c1ccccc1)C(=O)OC
SPLASH splash10-0a4i-1900000000-b8298c1c25e548a5e4c2
Source of Spectrum I-55-1430-0
Wiley ID 1374576