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3-(2-iodo-6-methoxy-benzyl)pent-4-ynoic acid
SpectraBase Compound ID LY6faHBpoKo
InChI InChI=1S/C13H13IO3/c1-3-9(8-13(15)16)7-10-11(14)5-4-6-12(10)17-2/h1,4-6,9H,7-8H2,2H3,(H,15,16)
InChIKey NBXGBVZXDNXBEM-UHFFFAOYSA-N
Mol Weight 344.15 g/mol
Molecular Formula C13H13IO3
Exact Mass 343.990939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSia2cQzs0V
Name 3-(2-iodo-6-methoxy-benzyl)pent-4-ynoic acid
Alternate Name(s) 3-[(2-iodanyl-6-methoxy-phenyl)methyl]pent-4-ynoic acid 3-[(2-iodo-6-methoxy-phenyl)methyl]pent-4-ynoic acid 3-[(2-iodo-6-methoxyphenyl)methyl]-4-pentynoic acid
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Formula C13H13IO3
InChI InChI=1S/C13H13IO3/c1-3-9(8-13(15)16)7-10-11(14)5-4-6-12(10)17-2/h1,4-6,9H,7-8H2,2H3,(H,15,16)
InChIKey NBXGBVZXDNXBEM-UHFFFAOYSA-N
Molecular Weight 344.148 g/mol
SMILES OC(CC(C#C)Cc1c(I)cccc1OC)=O
SPLASH splash10-0005-3091000000-87c7b4cde5b64bfd4867
Source of Spectrum F-52-11474-8
Wiley ID 798387