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6-Methyl-4-(2-oxopropyl)-2H-1,4-benzoxazin-3(4H)-one
SpectraBase Compound ID 3dVjBZXAIfA
InChI InChI=1S/C12H13NO3/c1-8-3-4-11-10(5-8)13(6-9(2)14)12(15)7-16-11/h3-5H,6-7H2,1-2H3
InChIKey TXRYXFCKMMOTHC-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0uTxIs4ydv
Name 6-Methyl-4-(2-oxopropyl)-2H-1,4-benzoxazin-3(4H)-one
CAS Registry Number 105492-52-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-8-3-4-11-10(5-8)13(6-9(2)14)12(15)7-16-11/h3-5H,6-7H2,1-2H3
InChIKey TXRYXFCKMMOTHC-UHFFFAOYSA-N
Molecular Weight 219.240 g/mol
SMILES Cc1ccc2c(c1)N(CC(C)=O)C(CO2)=O
SPLASH splash10-00mn-3920000000-4cf3c5f2aeb76f54bd83
Source of Spectrum O-24-512-2
Synonyms 4-(2-Oxopropyl)-6-methyl-2H-1,4-benzoxazin-3(4H)-one 4-Acetonyl-6-methyl-1,4-benzoxazin-3-one 6-Methyl-4-(2-oxidanylidenepropyl)-1,4-benzoxazin-3-one 6-Methyl-4-(2-oxopropyl)-1,4-benzoxazin-3-one
Wiley ID 1218837