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2'-Oxo-3',4',6a',7',8',9',1'',10a'-octahydro-2'H,6'H-spiro[cyclohexane-1,11'-pyrimido[2',1':3,4][1,2,4]triazolo[5,1-b]quinazolin[12]ium[1]ide]

View entire compound with spectra: 1 MS (GC)

2'-Oxo-3',4',6a',7',8',9',1'',10a'-octahydro-2'H,6'H-spiro[cyclohexane-1,11'-pyrimido[2',1':3,4][1,2,4]triazolo[5,1-b]quinazolin[12]ium[1]ide]
SpectraBase Compound ID 9YzmSvo7CNT
InChI InChI=1S/C17H25N5O/c23-14-8-11-21-15(19-14)20-22-16(21)18-13-7-3-2-6-12(13)17(22)9-4-1-5-10-17/h12-13H,1-11H2,(H,19,20,23)
InChIKey FNAZMZNHZLCRAL-UHFFFAOYSA-N
Mol Weight 315.42 g/mol
Molecular Formula C17H25N5O
Exact Mass 315.20591 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39n4osCVzNe
Name 2'-Oxo-3',4',6a',7',8',9',1'',10a'-octahydro-2'H,6'H-spiro[cyclohexane-1,11'-pyrimido[2',1':3,4][1,2,4]triazolo[5,1-b]quinazolin[12]ium[1]ide]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25N5O
InChI InChI=1S/C17H25N5O/c23-14-8-11-21-15(19-14)20-22-16(21)18-13-7-3-2-6-12(13)17(22)9-4-1-5-10-17/h12-13H,1-11H2,(H,19,20,23)
InChIKey FNAZMZNHZLCRAL-UHFFFAOYSA-N
Molecular Weight 315.421 g/mol
SMILES N1C2C(C3([n+]4c1[n]1CCC([N-]c1n4)=O)CCCCC3)CCCC2
SPLASH splash10-05mo-9012000000-38894defb1153a78e65c
Source of Spectrum F-70-697-13e
Synonyms 2'-Oxo-3',4',6a',7',8',9',1',10a'-octahydro-2'H,6'H-spiro[cyclohexane-1,11'-pyrimido[2',1':3,4][1,2,4]triazolo[5,1-b]quinazolin[12]ium[1]ide] 2'-oxo-2',3',4',6',6a',7',8',9',10',10a'-decahydrospiro[cyclohexane-1,11'-pyrimido[2',1':3,4][1,2,4]triazolo[5,1-b]quinazolin]-12'-ium-7-ide
Wiley ID 1742558