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2-Propenoic acid, 3-[1,2,3,4-tetrahydro-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,4-dioxo-5-pyrimidinyl]-, [1.alpha.(E),3.alpha.,4.beta.]-(.+-.)-

View entire compound with spectra: 1 MS (GC)

2-Propenoic acid, 3-[1,2,3,4-tetrahydro-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,4-dioxo-5-pyrimidinyl]-, [1.alpha.(E),3.alpha.,4.beta.]-(.+-.)-
SpectraBase Compound ID Fhg0mXIcuwH
InChI InChI=1S/C13H16N2O6/c16-6-8-3-9(4-10(8)17)15-5-7(1-2-11(18)19)12(20)14-13(15)21/h1-2,5,8-10,16-17H,3-4,6H2,(H,18,19)(H,14,20,21)/b2-1+/t8-,9+,10+/m1/s1
InChIKey MQWZEIFGZJAZBL-JEXNEWIZSA-N
Mol Weight 296.28 g/mol
Molecular Formula C13H16N2O6
Exact Mass 296.100836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRezRYdb3nc
Name 2-Propenoic acid, 3-[1,2,3,4-tetrahydro-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,4-dioxo-5-pyrimidinyl]-, [1.alpha.(E),3.alpha.,4.beta.]-(.+-.)-
Alternate Name(s) (2E)-3-{1-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl}-2-propenoic acid (E)-3-{1,2,3,4-tetrahydro-1-[3.alpha.-hydroxy-4.beta.-(hydroxymethyl)cyclopentan-1-yl[-2,4-dioxopyrimidin-5-yl}propenoic acid
CAS Registry Number 91661-15-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O6
InChI InChI=1S/C13H16N2O6/c16-6-8-3-9(4-10(8)17)15-5-7(1-2-11(18)19)12(20)14-13(15)21/h1-2,5,8-10,16-17H,3-4,6H2,(H,18,19)(H,14,20,21)/b2-1+/t8-,9+,10+/m1/s1
InChIKey MQWZEIFGZJAZBL-JEXNEWIZSA-N
Molecular Weight 296.279 g/mol
SMILES N1C(C(=CN([C@]2(C[C@](CO)([C@](C2)(O)[H])[H])[H])C1=O)\C=C\C(=O)O)=O
SPLASH splash10-0006-9200000000-df705d46cbb068fc1d3f
Source of Spectrum KC-1986-403-24
Wiley ID 1298710