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2-Methyl-4H-3,1-benzoxazin-4-one

View entire compound with spectra: 8 NMR, 1 FTIR, 1 Raman, and 9 MS (GC)

2-Methyl-4H-3,1-benzoxazin-4-one
SpectraBase Compound ID FmX0yt4VeV3
InChI InChI=1S/C9H7NO2/c1-6-10-8-5-3-2-4-7(8)9(11)12-6/h2-5H,1H3
InChIKey WMQSKECCMQRJRX-UHFFFAOYSA-N
Mol Weight 161.16 g/mol
Molecular Formula C9H7NO2
Exact Mass 161.047678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1CbOmgAbq7
Name 4H-3,1-Benzoxazin-4-one, 2-methyl-
Alternate Name(s) 2-methyl-3,1-benzoxazin-4-one 2-Methyl-4H-3,1-benzoxazin-4-one 2-Methyl-4-oxo-4H-3,1-benzoxazine EINECS 208-381-7 NSC 10119
CAS Registry Number 525-76-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO2
InChI InChI=1S/C9H7NO2/c1-6-10-8-5-3-2-4-7(8)9(11)12-6/h2-5H,1H3
InChIKey WMQSKECCMQRJRX-UHFFFAOYSA-N
Molecular Weight 161.160 g/mol
SMILES C1(OC(C)=Nc2c1cccc2)=O
SPLASH splash10-03di-0900000000-5dac890ea2a01aa3a00e
Source of Spectrum F2-46-1015-6
Wiley ID 1703512