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rel-(4aS,6S,6aR)-1,3-Dimethyl-2,4-dioxo-4a,5,6,6a-tetrahydrocyclobutapyrimidine-6,6a-dicarbonitrle
SpectraBase Compound ID 6XKkPJV6yHM
InChI InChI=1S/C10H10N4O2/c1-13-8(15)7-3-6(4-11)10(7,5-12)14(2)9(13)16/h6-7H,3H2,1-2H3/t6-,7+,10-/m0/s1
InChIKey JNDAUPHVRNYQGH-PJKMHFRUSA-N
Mol Weight 218.22 g/mol
Molecular Formula C10H10N4O2
Exact Mass 218.080376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXBV2VfbDbj
Name rel-(4aS,6S,6aR)-1,3-Dimethyl-2,4-dioxo-4a,5,6,6a-tetrahydrocyclobutapyrimidine-6,6a-dicarbonitrle
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10N4O2
InChI InChI=1S/C10H10N4O2/c1-13-8(15)7-3-6(4-11)10(7,5-12)14(2)9(13)16/h6-7H,3H2,1-2H3/t6-,7+,10-/m0/s1
InChIKey JNDAUPHVRNYQGH-PJKMHFRUSA-N
Molecular Weight 218.216 g/mol
SMILES C1(N(C([C@@]2([C@@](N1C)([C@@](C2)(C#N)[H])C#N)[H])=O)C)=O
SPLASH splash10-0aor-0900000000-ad01ec8fb4abe8ffd161
Source of Spectrum O1-57-672-6
Wiley ID 1591523