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2,9-Epoxy-4,8-ethano-4H-1,3-dioxino[5,4-d]pyrimidine, acetamide deriv.
SpectraBase Compound ID KcY673ObKvo
InChI InChI=1S/C12H16N4O5/c1-3(17)13-6-5-8-7(16-11(15-5)14-4(2)18)10-9(6)20-12(19-8)21-10/h5-10,12H,1-2H3,(H,13,17)(H2,14,15,16,18)/t5-,6-,7?,8+,9-,10+,12-/m1/s1
InChIKey QNPCWHAVODPPHX-UHFFFAOYSA-N
Mol Weight 296.28 g/mol
Molecular Formula C12H16N4O5
Exact Mass 296.11207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Anmh6gyl0cU
Name 2,9-Epoxy-4,8-ethano-4H-1,3-dioxino[5,4-d]pyrimidine, acetamide deriv.
CAS Registry Number 97684-66-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N4O5
InChI InChI=1S/C12H16N4O5/c1-3(17)13-6-5-8-7(16-11(15-5)14-4(2)18)10-9(6)20-12(19-8)21-10/h5-10,12H,1-2H3,(H,13,17)(H2,14,15,16,18)/t5-,6-,7?,8+,9-,10+,12-/m1/s1
InChIKey QNPCWHAVODPPHX-UHFFFAOYSA-N
Molecular Weight 296.283 g/mol
SMILES N1C2[C@@]3([C@](N=C1NC(=O)C)([C@]([C@@]1([C@]2(O[C@@](O1)(O3)[H])[H])[H])(NC(=O)C)[H])[H])[H]
SPLASH splash10-000e-9410000000-33a214f58caf6a267c70
Source of Spectrum K-118-2070-51
Synonyms Acetamide, N,N'-(4a,5,8,8a-tetrahydro-2,9-epoxy-4,8-ethano-4H-1,3-dioxino[5,4-d]pyrimidine-6,10-diyl)bis-, (2.alpha.,4.alpha.,4a.beta.,8.alpha.,8a.beta.,9S*,10S*)-(.+-.)- (1.alpha.,2.beta.,6.beta.,7.alpha.,11.alpha.,12.alpha.)-12-N-acetyl-4-(acetylimino)-8,10,13-trioxa-3,5-diazatetracyclo-[7.3.1.0(2,7).0(6,11)]tridecan-12-amin N-[6-(acetylamino)-2,12,13-trioxa-5,7-diazatetracyclo[8.2.1.0(3,8).0(4,11)]tridec-6-en-9-yl]acetamide
Wiley ID 1298661