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2-(3-Methylpent-1-yn-3-ylcarbamoyl)benzoic acid
SpectraBase Compound ID 3HUf92JDOv4
InChI InChI=1S/C14H15NO3/c1-4-14(3,5-2)15-12(16)10-8-6-7-9-11(10)13(17)18/h1,6-9H,5H2,2-3H3,(H,15,16)(H,17,18)
InChIKey VZGYZZMXHDWMKP-UHFFFAOYSA-N
Mol Weight 245.28 g/mol
Molecular Formula C14H15NO3
Exact Mass 245.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQ6mcidqabh
Name 2-(3-Methylpent-1-yn-3-ylcarbamoyl)benzoic acid
Alternate Name(s) 2-[(1-ethyl-1-methyl-prop-2-ynyl)carbamoyl]benzoic acid 2-[(3-methylpent-1-yn-3-ylamino)-oxomethyl]benzoic acid Phthalamic acid, N-(1-ethyl-1-methylprop-2-ynyl)-
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Formula C14H15NO3
InChI InChI=1S/C14H15NO3/c1-4-14(3,5-2)15-12(16)10-8-6-7-9-11(10)13(17)18/h1,6-9H,5H2,2-3H3,(H,15,16)(H,17,18)
InChIKey VZGYZZMXHDWMKP-UHFFFAOYSA-N
Molecular Weight 245.278 g/mol
SMILES N(C(C)(CC)C#C)C(c1c(C(O)=O)cccc1)=O
SPLASH splash10-00kb-5930000000-a85902c6fcbf82c5fac0
Wiley ID 1448226