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HEXAHYDRO-1-[5-(HEXAHYDRO-1H-AZEPIN-1-YL)-2,4-PENTADIENYLIDENE]-1H-AZEPINIUM PERCHLORATE
SpectraBase Compound ID 9zk7gBOiis5
InChI InChI=1S/C17H29N2.ClHO4/c1-2-7-13-18(12-6-1)16-10-5-11-17-19-14-8-3-4-9-15-19;2-1(3,4)5/h5,10-11,16-17H,1-4,6-9,12-15H2;(H,2,3,4,5)/q+1;/p-1
InChIKey FZHISZBNGGHJTI-UHFFFAOYSA-M
Mol Weight 360.88 g/mol
Molecular Formula C17H29ClN2O4
Exact Mass 360.181585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GTEEpJ6s36e
Name HEXAHYDRO-1-[5-(HEXAHYDRO-1H-AZEPIN-1-YL)-2,4-PENTADIENYLIDENE]-1H-AZEPINIUM PERCHLORATE
Source of Sample R. Radeglia J. Prakt. Chem. 316, 344(1974)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H29ClN2O4
InChI InChI=1S/C17H29N2.ClHO4/c1-2-7-13-18(12-6-1)16-10-5-11-17-19-14-8-3-4-9-15-19;2-1(3,4)5/h5,10-11,16-17H,1-4,6-9,12-15H2;(H,2,3,4,5)/q+1;/p-1
InChIKey FZHISZBNGGHJTI-UHFFFAOYSA-M
Molecular Weight 360.88
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Jeol PFT-100
Synonyms 1H-AZEPINIUM PERCHLORATE, HEXAHYDRO-1-/5-/HEXAHYDRO-1H-AZEPIN-1-YL/- 2,4-PENTADIENYLIDENE/-,