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2-(6'-(Chlorohex-5'-en-3'-yn-2'-ylamino)-1-phenylpropane-1,3-diol
SpectraBase Compound ID 4Dv2gF12Yld
InChI InChI=1S/C15H18ClNO2/c1-12(7-5-6-10-16)17-14(11-18)15(19)13-8-3-2-4-9-13/h2-4,6,8-10,12,14-15,17-19H,11H2,1H3/b10-6+
InChIKey POXBZOYDHAPXIN-UXBLZVDNSA-N
Mol Weight 279.77 g/mol
Molecular Formula C15H18ClNO2
Exact Mass 279.102607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ElBc0vePeLq
Name 2-(6'-(Chlorohex-5'-en-3'-yn-2'-ylamino)-1-phenylpropane-1,3-diol
Alternate Name(s) 2-{[(4E)-5-chloro-1-methyl-4-penten-2-ynyl]amino}-1-phenyl-1,3-propanediol
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Formula C15H18ClNO2
InChI InChI=1S/C15H18ClNO2/c1-12(7-5-6-10-16)17-14(11-18)15(19)13-8-3-2-4-9-13/h2-4,6,8-10,12,14-15,17-19H,11H2,1H3/b10-6+
InChIKey POXBZOYDHAPXIN-UXBLZVDNSA-N
Molecular Weight 279.767 g/mol
SMILES N(C(CO)C(c1ccccc1)O)C(C#C\C=C\Cl)C
SPLASH splash10-00di-0900000000-40178764da3535b9f088
Source of Spectrum H-78-988-12
Wiley ID 1282928