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4-amino-4-methyl-2-pentanone, oxalate, hydrate

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4-amino-4-methyl-2-pentanone, oxalate, hydrate
SpectraBase Compound ID 87M3ttJZasG
InChI InChI=1S/C6H13NO.C2H2O4.H2O/c1-5(8)4-6(2,3)7;3-1(4)2(5)6;/h4,7H2,1-3H3;(H,3,4)(H,5,6);1H2
InChIKey WTWLHIRBZWLOBP-UHFFFAOYSA-N
Mol Weight 223.225 g/mol
Molecular Formula C8H17NO6
Exact Mass 223.105587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ELwWv8IMKu
Name 4-AMINO-4-METHYL-2-PENTANONE, OXALATE, (1:1) (SALT), HYDRATE
Source of Sample Amchem Corporation, Ambler, Pennsylvania
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H13NO C2H2O4 H2O
InChI InChI=1S/C6H13NO.C2H2O4.H2O/c1-5(8)4-6(2,3)7;3-1(4)2(5)6;/h4,7H2,1-3H3;(H,3,4)(H,5,6);1H2
InChIKey WTWLHIRBZWLOBP-UHFFFAOYSA-N
Melting Point 123-125C
Molecular Weight 223.23
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms 2-PENTANONE, 4-AMINO-4-METHYL-, OXALATE, HYDRATE