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rel-(4aS,6R,6aR)-6-Ethoxy-1,3-dimethyl-2,4-dioxo-4a,5,6,6a-tetrahydrocyclobutapyrimidine-6a-carbonitrle
SpectraBase Compound ID 8AVE7CcgCGF
InChI InChI=1S/C11H15N3O3/c1-4-17-8-5-7-9(15)13(2)10(16)14(3)11(7,8)6-12/h7-8H,4-5H2,1-3H3/t7-,8+,11+/m0/s1
InChIKey PQPJWASTFZWPNC-VAOFZXAKSA-N
Mol Weight 237.26 g/mol
Molecular Formula C11H15N3O3
Exact Mass 237.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ndGK5KjkuG
Name rel-(4aS,6R,6aR)-6-Ethoxy-1,3-dimethyl-2,4-dioxo-4a,5,6,6a-tetrahydrocyclobutapyrimidine-6a-carbonitrle
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15N3O3
InChI InChI=1S/C11H15N3O3/c1-4-17-8-5-7-9(15)13(2)10(16)14(3)11(7,8)6-12/h7-8H,4-5H2,1-3H3/t7-,8+,11+/m0/s1
InChIKey PQPJWASTFZWPNC-VAOFZXAKSA-N
Molecular Weight 237.259 g/mol
SMILES [C@@]12(N(C(=O)N(C([C@]2([H])C[C@]1(OCC)[H])=O)C)C)C#N
SPLASH splash10-00di-9000000000-62e7b5c60a578c4e34a3
Source of Spectrum O1-57-671-3
Wiley ID 1591530