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5,7-Diethyl-1,3-diiodo-6H-cyclohepta[c]thiophen-6-one
SpectraBase Compound ID LdBLmmzWwMv
InChI InChI=1S/C13H12I2OS/c1-3-7-5-9-10(13(15)17-12(9)14)6-8(4-2)11(7)16/h5-6H,3-4H2,1-2H3
InChIKey HWBBXHKKEWWRQL-UHFFFAOYSA-N
Mol Weight 470.11 g/mol
Molecular Formula C13H12I2OS
Exact Mass 469.869826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UyJfsPL3pU
Name 5,7-Diethyl-1,3-diiodo-6H-cyclohepta[c]thiophen-6-one
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 469.869826179 u
Formula C13H12I2OS
InChI InChI=1S/C13H12I2OS/c1-3-7-5-9-10(13(15)17-12(9)14)6-8(4-2)11(7)16/h5-6H,3-4H2,1-2H3
InChIKey HWBBXHKKEWWRQL-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201900535
Molecular Weight 470.107 g/mol
Quality 182
SMILES C=1(SC(=C2C1C=C(C(C(=C2)CC)=O)CC)I)I
SPLASH splash10-006x-0200900000-839ec6672a024e127f99
Source of Spectrum QE-25-SM13-2 (DOI: 10.1002/chem.201900535)
Wiley ID 1891413