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3-(2-iodobenzyl)pent-4-ynoic acid

View entire compound with spectra: 1 MS (GC)

3-(2-iodobenzyl)pent-4-ynoic acid
SpectraBase Compound ID CugtFbmKeEG
InChI InChI=1S/C12H11IO2/c1-2-9(8-12(14)15)7-10-5-3-4-6-11(10)13/h1,3-6,9H,7-8H2,(H,14,15)
InChIKey QOFQVZVTHSYTFM-UHFFFAOYSA-N
Mol Weight 314.12 g/mol
Molecular Formula C12H11IO2
Exact Mass 313.980375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eho6Dzs7rvA
Name 3-(2-iodobenzyl)pent-4-ynoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11IO2
InChI InChI=1S/C12H11IO2/c1-2-9(8-12(14)15)7-10-5-3-4-6-11(10)13/h1,3-6,9H,7-8H2,(H,14,15)
InChIKey QOFQVZVTHSYTFM-UHFFFAOYSA-N
Molecular Weight 314.122 g/mol
SMILES OC(CC(C#C)Cc1c(cccc1)I)=O
SPLASH splash10-014l-3291000000-a5943d33a61a7735fc23
Source of Spectrum F-52-11473-8
Synonyms 3-[(2-iodanylphenyl)methyl]pent-4-ynoic acid 3-[(2-iodophenyl)methyl]-4-pentynoic acid 3-[(2-iodophenyl)methyl]pent-4-ynoic acid
Wiley ID 798389