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14-iodohexacyclo[6.6.0.0(2,6).0(3,13).0(4,11).0(5,9)]tetradecan-10-one
SpectraBase Compound ID BkSzYaMh09z
InChI InChI=1S/C14H15IO/c15-13-5-2-6-10-8-3-1-4(12(8)14(6)16)11(13)7(3)9(5)10/h3-13H,1-2H2/t3-,4-,5-,6+,7+,8+,9+,10-,11+,12-,13+/m1/s1
InChIKey NLLGRONDIVJSRZ-DUWXCPIBSA-N
Mol Weight 326.18 g/mol
Molecular Formula C14H15IO
Exact Mass 326.01676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZlm8tcR8wu
Name 14-iodohexacyclo[6.6.0.0(2,6).0(3,13).0(4,11).0(5,9)]tetradecan-10-one
CAS Registry Number 112533-30-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15IO
InChI InChI=1S/C14H15IO/c15-13-5-2-6-10-8-3-1-4(12(8)14(6)16)11(13)7(3)9(5)10/h3-13H,1-2H2/t3-,4-,5-,6+,7+,8+,9+,10-,11+,12-,13+/m1/s1
InChIKey NLLGRONDIVJSRZ-DUWXCPIBSA-N
Molecular Weight 326.177 g/mol
SMILES [C@]12(C([C@]3(C[C@]4([C@@]([C@@]5([C@]6([C@]([C@]2([C@@]3([C@@]46[H])[H])[H])(C[C@@]15[H])[H])[H])[H])(I)[H])[H])[H])=O)[H]
SPLASH splash10-0002-1900000000-dbe89b03a84312a85925
Source of Spectrum J-53-1103-5
Wiley ID 1324447