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Tetracyclo[6.2.1.1(3,10).0(3,8)]dodecane-1,10-dicarboxylic acid
SpectraBase Compound ID 1A44yPzs3Pa
InChI InChI=1S/C14H18O4/c15-9(16)13-5-11-3-1-2-4-12(11,7-13)8-14(13,6-11)10(17)18/h1-8H2,(H,15,16)(H,17,18)
InChIKey VBGRDCVNROMUAM-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ROOlK6qNlU
Name Tetracyclo[6.2.1.1(3,10).0(3,8)]dodecane-1,10-dicarboxylic acid
Appearance Pale yellow solid
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Formula C14H18O4
InChI InChI=1S/C14H18O4/c15-9(16)13-5-11-3-1-2-4-12(11,7-13)8-14(13,6-11)10(17)18/h1-8H2,(H,15,16)(H,17,18)
InChIKey VBGRDCVNROMUAM-UHFFFAOYSA-N
Instrument Name Agilent 5975 GC-122-5532 DB-5MS
Ionization Type EI
Literature Reference DOI 10.1021/jm401340p
Molecular Weight 250.294 g/mol
SMILES OC(C12CC34C(CC1(C(=O)O)C4)(C2)CCCC3)=O
SPLASH splash10-014i-3910000000-20adfb6f8749c0438909
Source of Spectrum AF-56-SM10-12d
Wiley ID 1865446