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(4-oxidanylidene-2-phenyl-3,1-benzoxazin-8-yl) benzoate
SpectraBase Compound ID 9WkLTBdmT61
InChI InChI=1S/C21H13NO4/c23-20(15-10-5-2-6-11-15)25-17-13-7-12-16-18(17)22-19(26-21(16)24)14-8-3-1-4-9-14/h1-13H
InChIKey ONTZVOBKZLSXQQ-UHFFFAOYSA-N
Mol Weight 343.34 g/mol
Molecular Formula C21H13NO4
Exact Mass 343.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Wd4W1pacfH
Name (4-oxidanylidene-2-phenyl-3,1-benzoxazin-8-yl) benzoate
Alternate Name(s) (4-oxo-2-phenyl-3,1-benzoxazin-8-yl) benzoate benzoic acid (4-keto-2-phenyl-3,1-benzoxazin-8-yl) ester benzoic acid (4-oxo-2-phenyl-3,1-benzoxazin-8-yl) ester
CAS Registry Number 117979-58-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H13NO4
InChI InChI=1S/C21H13NO4/c23-20(15-10-5-2-6-11-15)25-17-13-7-12-16-18(17)22-19(26-21(16)24)14-8-3-1-4-9-14/h1-13H
InChIKey ONTZVOBKZLSXQQ-UHFFFAOYSA-N
Molecular Weight 343.338 g/mol
SMILES C1(=Nc2c(C(O1)=O)cccc2OC(=O)c1ccccc1)c1ccccc1
SPLASH splash10-0a4i-2900000000-4e202241755e2c182efa
Source of Spectrum Y-25-717-3
Wiley ID 1337379