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2-Cyclohexen-1-amine, 5-[2-(1H-indol-3-yl)ethenyl]-N-methyl-6-methylene-N-(1-methylethyl)-, [1.alpha.,5.alpha.(E)]-
SpectraBase Compound ID IevGOxS6VIk
InChI InChI=1S/C21H26N2/c1-15(2)23(4)21-11-7-8-17(16(21)3)12-13-18-14-22-20-10-6-5-9-19(18)20/h5-7,9-15,17,21-22H,3,8H2,1-2,4H3/b13-12+/t17-,21-/m1/s1
InChIKey VXECNICYBIMNOC-ZOMYRSGASA-N
Mol Weight 306.45 g/mol
Molecular Formula C21H26N2
Exact Mass 306.209599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WNUP9AbU8
Name 2-Cyclohexen-1-amine, 5-[2-(1H-indol-3-yl)ethenyl]-N-methyl-6-methylene-N-(1-methylethyl)-, [1.alpha.,5.alpha.(E)]-
CAS Registry Number 70474-71-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2
InChI InChI=1S/C21H26N2/c1-15(2)23(4)21-11-7-8-17(16(21)3)12-13-18-14-22-20-10-6-5-9-19(18)20/h5-7,9-15,17,21-22H,3,8H2,1-2,4H3/b13-12+/t17-,21-/m1/s1
InChIKey VXECNICYBIMNOC-ZOMYRSGASA-N
Molecular Weight 306.453 g/mol
SMILES [nH]1c2c(c(c1)\C=C\[C@@]1(C([C@](N(C(C)C)C)(C=CC1)[H])=C)[H])cccc2
SPLASH splash10-00lu-0971000000-853a55dda24354cda584
Source of Spectrum H-62-487-0
Synonyms (1R,5R)-5-[(E)-2-(1H-indol-3-yl)ethenyl]-N-isopropyl-N-methyl-6-methylene-2-cyclohexen-1-amine N-{(1R,5R)-5-[(E)-2-(1H-indol-3-yl)ethenyl]-6-methylene-2-cyclohexen-1-yl}-N-isopropyl-N-methylamine trans-1[2-methylene-3-(methylisopropylamino)cyclohex-4-en-1-yl]-2-(indol-3-yl)ethene
Wiley ID 1308653