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2-(4-guanidinophenyl)hex-5-ynoic acid

View entire compound with spectra: 1 MS (GC)

2-(4-guanidinophenyl)hex-5-ynoic acid
SpectraBase Compound ID 6rqE9JUeiP5
InChI InChI=1S/C13H15N3O2/c1-2-3-4-11(12(17)18)9-5-7-10(8-6-9)16-13(14)15/h1,5-8,11H,3-4H2,(H,17,18)(H4,14,15,16)
InChIKey SGEKDTRSUDWIJR-UHFFFAOYSA-N
Mol Weight 245.28 g/mol
Molecular Formula C13H15N3O2
Exact Mass 245.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3X4F7Vfb9v5
Name 2-(4-guanidinophenyl)hex-5-ynoic acid
Alternate Name(s) 2-[4-(diaminomethylideneamino)phenyl]-5-hexynoic acid 2-[4-(diaminomethylideneamino)phenyl]hex-5-ynoic acid 2-[4-[bis(azanyl)methylideneamino]phenyl]hex-5-ynoic acid
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Formula C13H15N3O2
InChI InChI=1S/C13H15N3O2/c1-2-3-4-11(12(17)18)9-5-7-10(8-6-9)16-13(14)15/h1,5-8,11H,3-4H2,(H,17,18)(H4,14,15,16)
InChIKey SGEKDTRSUDWIJR-UHFFFAOYSA-N
Molecular Weight 245.282 g/mol
SMILES N(c1ccc(C(C(=O)O)CCC#C)cc1)C(=N)N
SPLASH splash10-1001-3960000000-224e1e557d4223adb2d3
Source of Spectrum E1-35-4156-9
Wiley ID 1574497