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3-Ethoxy-4-(3-hydroxypropylamino)cyclobut-3-ene-1,2-dione
SpectraBase Compound ID 6KbGxzNPbCZ
InChI InChI=1S/C9H13NO4/c1-2-14-9-6(7(12)8(9)13)10-4-3-5-11/h10-11H,2-5H2,1H3
InChIKey NFEXNLSGLUEVPJ-UHFFFAOYSA-N
Mol Weight 199.21 g/mol
Molecular Formula C9H13NO4
Exact Mass 199.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Vh7aTJHp57
Name 3-Ethoxy-4-(3-hydroxypropylamino)cyclobut-3-ene-1,2-dione
Alternate Name(s) 3-Ethoxy-4-(3-hydroxypropylamino)cyclobut-3-ene-1,2-quinone 3-Ethoxy-4-(3-oxidanylpropylamino)cyclobut-3-ene-1,2-dione
CAS Registry Number 131588-94-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NO4
InChI InChI=1S/C9H13NO4/c1-2-14-9-6(7(12)8(9)13)10-4-3-5-11/h10-11H,2-5H2,1H3
InChIKey NFEXNLSGLUEVPJ-UHFFFAOYSA-N
Molecular Weight 199.206 g/mol
SMILES N(C1=C(OCC)C(C1=O)=O)CCCO
SPLASH splash10-0007-9700000000-3b23fce8d8d1a496d371
Source of Spectrum K-124-1217-3
Wiley ID 1196570