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rel-(4aS,6R,6aR)-6-Methoxy-1,3,6-trimethyl-2,4-dioxo-4a,5,6,6a-tetrahydrocyclobutapyrimidine-6a-carbonitrle
SpectraBase Compound ID FHC2TAhM7ol
InChI InChI=1S/C11H15N3O3/c1-10(17-4)5-7-8(15)13(2)9(16)14(3)11(7,10)6-12/h7H,5H2,1-4H3/t7-,10+,11+/m0/s1
InChIKey NIZKCLBCZZQUHZ-WHGOUJPWSA-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 FamKQHraQu0
Name rel-(4aS,6R,6aR)-6-Methoxy-1,3,6-trimethyl-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/c1-10(17-4)5-7-8(15)13(2)9(16)14(3)11(7,10)6-12/h7H,5H2,1-4H3/t7-,10+,11+/m0/s1
InChIKey NIZKCLBCZZQUHZ-WHGOUJPWSA-N
Molecular Weight 237.259 g/mol
SMILES [C@@]12(N(C(=O)N(C([C@]2([H])C[C@]1(OC)C)=O)C)C)C#N
SPLASH splash10-00di-9000000000-9778b82ce0e45dc58fa6
Source of Spectrum O1-57-672-3
Wiley ID 1591526