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10-Chloro-1-(1-cyclohexyl-1H-tetrazol-5-yl)-2-(4-methylbenzyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SpectraBase Compound ID 34kWLDiU7VZ
InChI InChI=1S/C26H29ClN6/c1-18-11-13-19(14-12-18)17-31-15-16-32-22-10-6-5-9-21(22)23(27)24(32)25(31)26-28-29-30-33(26)20-7-3-2-4-8-20/h5-6,9-14,20,25H,2-4,7-8,15-17H2,1H3
InChIKey IKKOZDHUUONIHN-UHFFFAOYSA-N
Mol Weight 461.01 g/mol
Molecular Formula C26H29ClN6
Exact Mass 460.214223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyGE2c77GI7
Name 10-Chloro-1-(1-cyclohexyl-1H-tetrazol-5-yl)-2-(4-methylbenzyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29ClN6
InChI InChI=1S/C26H29ClN6/c1-18-11-13-19(14-12-18)17-31-15-16-32-22-10-6-5-9-21(22)23(27)24(32)25(31)26-28-29-30-33(26)20-7-3-2-4-8-20/h5-6,9-14,20,25H,2-4,7-8,15-17H2,1H3
InChIKey IKKOZDHUUONIHN-UHFFFAOYSA-N
Instrument Name HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3499
Molecular Weight 461.013 g/mol
SMILES c1cc2c([n]3c(c2Cl)C(c2[n](C4CCCCC4)nnn2)N(Cc2ccc(cc2)C)CC3)cc1
SPLASH splash10-0a4i-0954200000-65011f2f480e45f38c81
Source of Spectrum Y-56-1303-5c
Wiley ID 1859509