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3-Amino-5-hydroxy-5-hydroxymethyl-2-methoxy-2-cyclohexenone
SpectraBase Compound ID 2UqGv7rDgor
InChI InChI=1S/C8H13NO4/c1-13-7-5(9)2-8(12,4-10)3-6(7)11/h10,12H,2-4,9H2,1H3
InChIKey VDKLVAXBVXDVFS-UHFFFAOYSA-N
Mol Weight 187.2 g/mol
Molecular Formula C8H13NO4
Exact Mass 187.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4PxHjiWFSS
Name 3-Amino-5-hydroxy-5-hydroxymethyl-2-methoxy-2-cyclohexenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13NO4
InChI InChI=1S/C8H13NO4/c1-13-7-5(9)2-8(12,4-10)3-6(7)11/h10,12H,2-4,9H2,1H3
InChIKey VDKLVAXBVXDVFS-UHFFFAOYSA-N
Molecular Weight 187.195 g/mol
SMILES OC1(CO)CC(C(=C(C1)N)OC)=O
SPLASH splash10-0673-4900000000-0aa58685cc8ab23990ed
Source of Spectrum LQ-1992-2981-0
Synonyms 3-Amino-5-hydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one
Wiley ID 1183669