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4-Hydroxy-2-methoxy-7-tert-butyl-2H-1,4-benzoxazin-3-one
SpectraBase Compound ID LfJcpFUIsLT
InChI InChI=1S/C13H17NO4/c1-13(2,3)8-5-6-9-10(7-8)18-12(17-4)11(15)14(9)16/h5-7,12,16H,1-4H3
InChIKey WMBCSCBUXBRBAK-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lW76bqFUsk
Name 4-Hydroxy-2-methoxy-7-tert-butyl-2H-1,4-benzoxazin-3-one
CAS Registry Number 131761-54-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-13(2,3)8-5-6-9-10(7-8)18-12(17-4)11(15)14(9)16/h5-7,12,16H,1-4H3
InChIKey WMBCSCBUXBRBAK-UHFFFAOYSA-N
Molecular Weight 251.282 g/mol
SMILES ON1C(C(Oc2cc(C(C)(C)C)ccc12)OC)=O
SPLASH splash10-00di-0690000000-4ecb5059603d4474e89d
Source of Spectrum J-56-1798-6
Synonyms 2H-1,4-Benzoxazin-3(4H)-one, 7-(1,1-dimethylethyl)-4-hydroxy-2-methoxy- 7-tert-Butyl-4-hydroxy-2-methoxy-2H-1,4-benzoxazin-3(4H)-one 7-tert-Butyl-4-hydroxy-2-methoxy-2H-1,4-benzoxazin-3-one
Wiley ID 1254497