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2-Pivaloylamino-9-ethynyl-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine-4(3H)-one
SpectraBase Compound ID FzX0Dp2fxmi
InChI InChI=1S/C17H22N4O2/c1-5-17-8-6-7-10(9-17)11-12(21-17)18-15(19-13(11)22)20-14(23)16(2,3)4/h1,10H,6-9H2,2-4H3,(H3,18,19,20,21,22,23)
InChIKey ZFWYQMJALILYCY-UHFFFAOYSA-N
Mol Weight 314.39 g/mol
Molecular Formula C17H22N4O2
Exact Mass 314.174276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYyxEoxzBc6
Name 2-Pivaloylamino-9-ethynyl-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N4O2
InChI InChI=1S/C17H22N4O2/c1-5-17-8-6-7-10(9-17)11-12(21-17)18-15(19-13(11)22)20-14(23)16(2,3)4/h1,10H,6-9H2,2-4H3,(H3,18,19,20,21,22,23)
InChIKey ZFWYQMJALILYCY-UHFFFAOYSA-N
Molecular Weight 314.389 g/mol
SMILES N1C2(CCCC(C3=C1N=C(NC3=O)NC(C(C)(C)C)=O)C2)C#C
SPLASH splash10-00dr-0495000000-e62fb64d4ffd8c453edb
Source of Spectrum O1-61-119-8
Synonyms N-[9-ethynyl-3-oxo-4,6,8-triazatricyclo[7.3.1.0(2,7)]trideca-2(7),5-dien-5-yl]-2,2-dimethylpropanamide
Wiley ID 1592327