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3-(3'-Iodopropoxy)cyclohex-2-en-1-one
SpectraBase Compound ID 7CnTrJSe5Xc
InChI InChI=1S/C9H13IO2/c10-5-2-6-12-9-4-1-3-8(11)7-9/h7H,1-6H2
InChIKey RICKNHDTUKKCKC-UHFFFAOYSA-N
Mol Weight 280.11 g/mol
Molecular Formula C9H13IO2
Exact Mass 279.996025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DeNENm3i207
Name 3-(3'-Iodopropoxy)cyclohex-2-en-1-one
Appearance Light yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.996024657 u
Formula C9H13IO2
InChI InChI=1S/C9H13IO2/c10-5-2-6-12-9-4-1-3-8(11)7-9/h7H,1-6H2
InChIKey RICKNHDTUKKCKC-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201603303
Molecular Weight 280.105 g/mol
Quality 394
Reported Formula C9H13(127)IO2
SMILES C(I)CCOC1=CC(CCC1)=O
SPLASH splash10-0f6x-9620000000-0a524d77c4d8eccdf891
Source of Spectrum QE-22-SM10-3f (DOI: 10.1002/chem.201603303)
Thin-Layer Chromatography 0.28 (pentane/EtOAc, 1:1)
Wiley ID 1905246