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5-Iodo-4,5,6,7-tetrahydro-1H-benzo[b]azonin-2(3H)-one
SpectraBase Compound ID 3Mi7XGYEJ54
InChI InChI=1S/C12H14INO/c13-10-6-5-9-3-1-2-4-11(9)14-12(15)8-7-10/h1-4,10H,5-8H2,(H,14,15)
InChIKey NUFOGFFDFRHSSJ-UHFFFAOYSA-N
Mol Weight 315.15 g/mol
Molecular Formula C12H14INO
Exact Mass 315.012009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPfRShspdd5
Name 5-Iodo-4,5,6,7-tetrahydro-1H-benzo[b]azonin-2(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14INO
InChI InChI=1S/C12H14INO/c13-10-6-5-9-3-1-2-4-11(9)14-12(15)8-7-10/h1-4,10H,5-8H2,(H,14,15)
InChIKey NUFOGFFDFRHSSJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol201180g
Molecular Weight 315.154 g/mol
SMILES N1c2c(CCC(CCC1=O)I)cccc2
SPLASH splash10-001i-0900000000-2362281fe68c12e4a744
Source of Spectrum A1-13-3434/SMS15-8a
Wiley ID 1753386