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p-Benzoquinone, 2-hydroxy-5-[[1-(hydroxymethyl)propyl]amino]-3,6-dimethyl-
SpectraBase Compound ID 7cIOLH4w3Ua
InChI InChI=1S/C12H17NO4/c1-4-8(5-14)13-9-6(2)11(16)12(17)7(3)10(9)15/h8,13-14,17H,4-5H2,1-3H3
InChIKey XEQZJFAVIYLDNE-UHFFFAOYSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GswIDodGLAN
Name p-Benzoquinone, 2-hydroxy-5-[[1-(hydroxymethyl)propyl]amino]-3,6-dimethyl-
Alternate Name(s) 2-Hydroxy-5-([1-(hydroxymethyl)propyl]amino)-3,6-dimethylbenzo-1,4-quinone
CAS Registry Number 29441-85-8
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-4-8(5-14)13-9-6(2)11(16)12(17)7(3)10(9)15/h8,13-14,17H,4-5H2,1-3H3
InChIKey XEQZJFAVIYLDNE-UHFFFAOYSA-N
Molecular Weight 239.271 g/mol
SMILES N(C(CO)CC)C1=C(C(C(=C(C1=O)C)O)=O)C
SPLASH splash10-0a4i-4290000000-413ce687ff0e99257083
Source of Spectrum W5-20676-0-0
Wiley ID 1241820