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(S)-(-)-But-3'-yn-2'-yl hydrogen phthalate
SpectraBase Compound ID DHGELrzaVDx
InChI InChI=1S/C12H10O4/c1-3-8(2)16-12(15)10-7-5-4-6-9(10)11(13)14/h1,4-8H,2H3,(H,13,14)
InChIKey POOBVOATKBYZQF-UHFFFAOYSA-N
Mol Weight 218.21 g/mol
Molecular Formula C12H10O4
Exact Mass 218.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KF4LPVLPD4H
Name (S)-(-)-But-3'-yn-2'-yl hydrogen phthalate
Alternate Name(s) (+-)-But-3'-yn-2'-yl hydrogen phthalate 2-{[(1-methyl-2-propynyl)oxy]carbonyl}benzoic acid
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Formula C12H10O4
InChI InChI=1S/C12H10O4/c1-3-8(2)16-12(15)10-7-5-4-6-9(10)11(13)14/h1,4-8H,2H3,(H,13,14)
InChIKey POOBVOATKBYZQF-UHFFFAOYSA-N
Molecular Weight 218.208 g/mol
SMILES OC(c1c(C(OC(C#C)C)=O)cccc1)=O
SPLASH splash10-0fba-9500000000-2f2debfd11d7d2204d52
Source of Spectrum KC-0-3274-17
Wiley ID 782601