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3-Iodo-6-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole
SpectraBase Compound ID H7pCeGmLW6D
InChI InChI=1S/C12H13IN2/c1-7-2-3-11-9(4-7)10-5-8(13)6-14-12(10)15-11/h5-7H,2-4H2,1H3,(H,14,15)
InChIKey QNVBYVQVIBLSDG-UHFFFAOYSA-N
Mol Weight 312.15 g/mol
Molecular Formula C12H13IN2
Exact Mass 312.012343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ICJP3FebI
Name 3-Iodo-6-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole
Appearance Pale gravel powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13IN2
InChI InChI=1S/C12H13IN2/c1-7-2-3-11-9(4-7)10-5-8(13)6-14-12(10)15-11/h5-7H,2-4H2,1H3,(H,14,15)
InChIKey QNVBYVQVIBLSDG-UHFFFAOYSA-N
Instrument Name Finnigan MAT ITD-700
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2865
Molecular Weight 312.154 g/mol
SMILES [nH]1c2c(c3c1ncc(c3)I)CC(CC2)C
SPLASH splash10-0229-0289000000-00a183b4fca91c347947
Source of Spectrum Y-54-2661-4b
Thin-Layer Chromatography Rf = 0.55 (CHCl3-MeOH, 20:1)
Wiley ID 1878495