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2-[N-(1'-t-Butoxy-3'-methylbut-2'-yl)iminomethyl]-1-(4''-chlorobutyl)-9-(methoxymethyl)-1,2,3,4-tetrahydro-.beta.-carboline
SpectraBase Compound ID GTAsQahJr1v
InChI InChI=1S/C27H42ClN3O2/c1-20(2)23(17-33-27(3,4)5)29-18-30-16-14-22-21-11-7-8-12-24(21)31(19-32-6)26(22)25(30)13-9-10-15-28/h7-8,11-12,18,20,23,25H,9-10,13-17,19H2,1-6H3/b29-18+
InChIKey JJMREOUHGFWSQW-RDRPBHBLSA-N
Mol Weight 476.1 g/mol
Molecular Formula C27H42ClN3O2
Exact Mass 475.296555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kWgMGowGDI
Name 2-[N-(1'-t-Butoxy-3'-methylbut-2'-yl)iminomethyl]-1-(4''-chlorobutyl)-9-(methoxymethyl)-1,2,3,4-tetrahydro-.beta.-carboline
Alternate Name(s) 1-tert-Butoxy-N-{(E)-[1-(4-chlorobutyl)-9-(methoxymethyl)-1,3,4,9-tetrahydro-2H-.beta.-carbolin-2-yl]methylidene}-3-methyl-2-butanamine N-[(E)-1-(tert-butoxymethyl)-2-methylpropyl]-N-{(E)-[1-(4-chlorobutyl)-9-(methoxymethyl)-1,3,4,9-tetrahydro-2H-.beta.-carbolin-2-yl]methylidene}amine
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Formula C27H42ClN3O2
InChI InChI=1S/C27H42ClN3O2/c1-20(2)23(17-33-27(3,4)5)29-18-30-16-14-22-21-11-7-8-12-24(21)31(19-32-6)26(22)25(30)13-9-10-15-28/h7-8,11-12,18,20,23,25H,9-10,13-17,19H2,1-6H3/b29-18+
InChIKey JJMREOUHGFWSQW-RDRPBHBLSA-N
Molecular Weight 476.105 g/mol
SMILES c12[n](c3ccccc3c2CCN(C1CCCCCl)\C=N\C(COC(C)(C)C)C(C)C)COC
SPLASH splash10-01ot-9008300000-eea86f634ac0f5234b42
Source of Spectrum D8-328-375-3
Wiley ID 1515831