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7-Methyl-5-oxo-4,5-dihydrobenzo[f]-1,4-oxazepin-3-carboxylic acid
SpectraBase Compound ID KqoxuIGM2IY
InChI InChI=1S/C11H9NO4/c1-6-2-3-9-7(4-6)10(13)12-8(5-16-9)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKey BWEHHRMSCWRAAR-UHFFFAOYSA-N
Mol Weight 219.2 g/mol
Molecular Formula C11H9NO4
Exact Mass 219.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5b6l33Zrkd0
Name 7-Methyl-5-oxo-4,5-dihydrobenzo[f]-1,4-oxazepin-3-carboxylic acid
Alternate Name(s) 7-Methyl-5-oxo-4,5-dihydro-1,4-benzoxazepine-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9NO4
InChI InChI=1S/C11H9NO4/c1-6-2-3-9-7(4-6)10(13)12-8(5-16-9)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKey BWEHHRMSCWRAAR-UHFFFAOYSA-N
Molecular Weight 219.196 g/mol
SMILES N1C(c2c(OC=C1C(=O)O)ccc(c2)C)=O
SPLASH splash10-004r-0900000000-b67c7b18d554ebaf6ffd
Source of Spectrum SO-1978-781-12
Wiley ID 1537204