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3-Ethoxy-4-[[(1R)-1-(hydroxymethyl)propyl]amino]cyclobut-3-ene-1,2-dione
SpectraBase Compound ID F0MfH1cVUfV
InChI InChI=1S/C10H15NO4/c1-3-6(5-12)11-7-8(13)9(14)10(7)15-4-2/h6,11-12H,3-5H2,1-2H3/t6-/m1/s1
InChIKey ALIMOKYQCKAIIQ-ZCFIWIBFSA-N
Mol Weight 213.23 g/mol
Molecular Formula C10H15NO4
Exact Mass 213.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CECGC9xfBzo
Name 3-Ethoxy-4-[[(1R)-1-(hydroxymethyl)propyl]amino]cyclobut-3-ene-1,2-dione
CAS Registry Number 131588-96-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15NO4
InChI InChI=1S/C10H15NO4/c1-3-6(5-12)11-7-8(13)9(14)10(7)15-4-2/h6,11-12H,3-5H2,1-2H3/t6-/m1/s1
InChIKey ALIMOKYQCKAIIQ-ZCFIWIBFSA-N
Molecular Weight 213.233 g/mol
SMILES N(C1=C(OCC)C(C1=O)=O)[C@@](CO)(CC)[H]
SPLASH splash10-0ab9-9120000000-af4cf13d14ff52bcccc6
Source of Spectrum K-124-1218-3
Synonyms 3-Ethoxy-4-[[(1R)-1-methylolpropyl]amino]cyclobut-3-ene-1,2-quinone 3-Ethoxy-4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclobut-3-ene-1,2-dione 3-Ethoxy-4-[[(2R)-1-oxidanylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione
Wiley ID 1212486