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

View entire compound with spectra: 1 MS (GC)

2'-Oxo-1',3',4',6',6a',7',8',9',10',10a'-decahydro-2'H-spiro[cyclohexane-1,11'-pyrimido[2',1':3,4][1,2,4]triazolo[5,1-b]quinazolin[12]ium] chloride
SpectraBase Compound ID Iq4qY99vu0t
InChI InChI=1S/C17H25N5O.ClH/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);1H
InChIKey ZXIFZKOKWZXHFO-UHFFFAOYSA-N
Mol Weight 351.88 g/mol
Molecular Formula C17H26ClN5O
Exact Mass 351.182588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDghbFDwbQD
Name 2'-Oxo-1',3',4',6',6a',7',8',9',10',10a'-decahydro-2'H-spiro[cyclohexane-1,11'-pyrimido[2',1':3,4][1,2,4]triazolo[5,1-b]quinazolin[12]ium] chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26ClN5O
InChI InChI=1S/C17H25N5O.ClH/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);1H
InChIKey ZXIFZKOKWZXHFO-UHFFFAOYSA-N
Molecular Weight 351.882 g/mol
SMILES [Cl-].N1C(CC[n]2c1n[n+]1c2NC2C(C11CCCCC1)CCCC2)=O
SPLASH splash10-01b9-3495000000-9acaf216ffa592cdcd9a
Source of Spectrum F-70-694-5e
Synonyms 2'-oxo-2',3',4',6',6a',7',8',9',10',10a'-decahydro-1'H-spiro[cyclohexane-1,11'-pyrimido[2',1':3,4][1,2,4]triazolo[5,1-b]quinazolin]-12'-ium chloride
Wiley ID 1742577