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2-Benzyl-1-(1-(tert-Butyl)-1H-tetrazol-5-yl)-10-chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SpectraBase Compound ID 4vQoOhxiZsS
InChI InChI=1S/C23H25ClN6/c1-23(2,3)30-22(25-26-27-30)21-20-19(24)17-11-7-8-12-18(17)29(20)14-13-28(21)15-16-9-5-4-6-10-16/h4-12,21H,13-15H2,1-3H3
InChIKey VUKRQYSRBZXFFH-UHFFFAOYSA-N
Mol Weight 420.95 g/mol
Molecular Formula C23H25ClN6
Exact Mass 420.182923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETK8twWCNJY
Name 2-Benzyl-1-(1-(tert-Butyl)-1H-tetrazol-5-yl)-10-chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25ClN6
InChI InChI=1S/C23H25ClN6/c1-23(2,3)30-22(25-26-27-30)21-20-19(24)17-11-7-8-12-18(17)29(20)14-13-28(21)15-16-9-5-4-6-10-16/h4-12,21H,13-15H2,1-3H3
InChIKey VUKRQYSRBZXFFH-UHFFFAOYSA-N
Instrument Name HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3499
Molecular Weight 420.948 g/mol
SMILES c1ccc2[n]3CCN(Cc4ccccc4)C(c4nnn[n]4C(C)(C)C)c3c(Cl)c2c1
SPLASH splash10-006y-9081300000-81202936c62cb4a6b111
Source of Spectrum Y-56-1302-5a
Wiley ID 1859507