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2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridin-8-ium 1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate
SpectraBase Compound ID K2iL0COLezF
InChI InChI=1S/C13H24N2.C11H17NO2/c1-11(2)6-8-13(5)9-7-12(3,4)15-10(13)14-11;13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9/h6-9H2,1-5H3,(H,14,15);5,10H,1-4,6-8H2,(H,13,14)
InChIKey HSMZVRUGLQHNMS-UHFFFAOYSA-N
Mol Weight 403.61 g/mol
Molecular Formula C24H41N3O2
Exact Mass 403.319878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ueK5Soq7Zu
Name 2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridin-8-ium 1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate
Alternate Name(s) 2,2,4a,7,7-pentamethyl-2,3,4,4a,5,6,7,8-octahydro-1,8-naphthyridin-1-ium cyclohex-1-en-1-ylprolinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H41N3O2
InChI InChI=1S/C13H24N2.C11H17NO2/c1-11(2)6-8-13(5)9-7-12(3,4)15-10(13)14-11;13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9/h6-9H2,1-5H3,(H,14,15);5,10H,1-4,6-8H2,(H,13,14)
InChIKey HSMZVRUGLQHNMS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200790050
Molecular Weight 403.611 g/mol
SMILES [NH+]=1C(CCC2(C1NC(CC2)(C)C)C)(C)C.C1N(C(CC1)C(=O)[O-])C1=CCCCC1
SPLASH splash10-0006-3900000000-07f0dee4da9cbc878005
Source of Spectrum H-90-468-20
Wiley ID 1783849