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Methyl 3-(2-Iodobut-2-en-1-yl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate
SpectraBase Compound ID 5wo5mEMaAzT
InChI InChI=1S/C18H21IN2O2/c1-3-12(19)10-21-9-8-14-13-6-4-5-7-16(13)20-17(14)15(11-21)18(22)23-2/h3-7,15,20H,8-11H2,1-2H3/b12-3+
InChIKey SYRKLUTWXOFLAV-KGVSQERTSA-N
Mol Weight 424.28 g/mol
Molecular Formula C18H21IN2O2
Exact Mass 424.064773 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wATTJ1gU2k
Name Methyl 3-(2-Iodobut-2-en-1-yl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21IN2O2
InChI InChI=1S/C18H21IN2O2/c1-3-12(19)10-21-9-8-14-13-6-4-5-7-16(13)20-17(14)15(11-21)18(22)23-2/h3-7,15,20H,8-11H2,1-2H3/b12-3+
InChIKey SYRKLUTWXOFLAV-KGVSQERTSA-N
Molecular Weight 424.282 g/mol
SMILES [nH]1c2ccccc2c2c1C(CN(CC2)C\C(=C/C)I)C(=O)OC
SPLASH splash10-0udi-9720000000-772353d3b2f4963ec431
Source of Spectrum J-61-7876-8
Synonyms Methyl 3-[(2E)-2-iodo-2-butenyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate
Wiley ID 1379125