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3,1-Benzoxazepine-4,5-dicarboxylic acid, 2-(3,4-dimethoxyphenyl)-, dimethyl ester
SpectraBase Compound ID 3Vj6O550Njl
InChI InChI=1S/C21H19NO7/c1-25-15-10-9-12(11-16(15)26-2)19-22-14-8-6-5-7-13(14)17(20(23)27-3)18(29-19)21(24)28-4/h5-11H,1-4H3
InChIKey STTOFYDACGXLAB-UHFFFAOYSA-N
Mol Weight 397.38 g/mol
Molecular Formula C21H19NO7
Exact Mass 397.116152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrFOQl57tiA
Name 3,1-Benzoxazepine-4,5-dicarboxylic acid, 2-(3,4-dimethoxyphenyl)-, dimethyl ester
CAS Registry Number 88344-60-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO7
InChI InChI=1S/C21H19NO7/c1-25-15-10-9-12(11-16(15)26-2)19-22-14-8-6-5-7-13(14)17(20(23)27-3)18(29-19)21(24)28-4/h5-11H,1-4H3
InChIKey STTOFYDACGXLAB-UHFFFAOYSA-N
Molecular Weight 397.383 g/mol
SMILES C1(=C(OC(c2cc(OC)c(cc2)OC)=Nc2c1cccc2)C(=O)OC)C(=O)OC
SPLASH splash10-0002-0029000000-0e957839526f56b2c0bd
Source of Spectrum B-36-1430-0
Synonyms Dimethyl 2-(3,4-dimethoxyphenyl)-3,1-benzoxazepine-4,5-dicarboxylate Dimethyl diester of 2-(3,4-dimethoxyphenyl)-3,1-benzoxazepine-4,5-dicarboxylic acid
Wiley ID 1367938