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2-Benzyl-10-chloro-1-(1-cyclohexyl-1H-tetrazol-5-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SpectraBase Compound ID GqmiqIpWKap
InChI InChI=1S/C25H27ClN6/c26-22-20-13-7-8-14-21(20)31-16-15-30(17-18-9-3-1-4-10-18)24(23(22)31)25-27-28-29-32(25)19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19,24H,2,5-6,11-12,15-17H2
InChIKey LKANSEIYIFVYEE-UHFFFAOYSA-N
Mol Weight 446.99 g/mol
Molecular Formula C25H27ClN6
Exact Mass 446.198573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VTBUuPhJMN
Name 2-Benzyl-10-chloro-1-(1-cyclohexyl-1H-tetrazol-5-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27ClN6
InChI InChI=1S/C25H27ClN6/c26-22-20-13-7-8-14-21(20)31-16-15-30(17-18-9-3-1-4-10-18)24(23(22)31)25-27-28-29-32(25)19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19,24H,2,5-6,11-12,15-17H2
InChIKey LKANSEIYIFVYEE-UHFFFAOYSA-N
Instrument Name HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3499
Molecular Weight 446.986 g/mol
SMILES c1cc2c([n]3c(c2Cl)C(c2[n](C4CCCCC4)nnn2)N(Cc2ccccc2)CC3)cc1
SPLASH splash10-0007-9060200000-69e5cd4bb7b25bfacf30
Source of Spectrum Y-56-1302-5b
Wiley ID 1859508