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3-endo-p-Toluoyl-7-oxabicyclo[2.2.1]heptane-2-exo-carboxylic acid
SpectraBase Compound ID 6bjTTfeGOL
InChI InChI=1S/C15H16O4/c1-8-2-4-9(5-3-8)14(16)12-10-6-7-11(19-10)13(12)15(17)18/h2-5,10-13H,6-7H2,1H3,(H,17,18)/t10-,11+,12-,13+/m1/s1
InChIKey XQSHVUSGAKRWTR-XQHKEYJVSA-N
Mol Weight 260.29 g/mol
Molecular Formula C15H16O4
Exact Mass 260.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13PVqjggQie
Name 3-endo-p-Toluoyl-7-oxabicyclo[2.2.1]heptane-2-exo-carboxylic acid
Alternate Name(s) 3-exo-p-Toluoyl-7-oxabicyclo[2.2.1]heptane-2-exo-carboxylic acid 3-(4-Methylbenzoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid 2-[(4-methylphenyl)-oxomethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid 2-(4-Methylbenzoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid 2-(4-Methylphenyl)carbonyl-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O4
InChI InChI=1S/C15H16O4/c1-8-2-4-9(5-3-8)14(16)12-10-6-7-11(19-10)13(12)15(17)18/h2-5,10-13H,6-7H2,1H3,(H,17,18)/t10-,11+,12-,13+/m1/s1
InChIKey XQSHVUSGAKRWTR-XQHKEYJVSA-N
Molecular Weight 260.289 g/mol
SMILES OC([C@@]1([C@@]([C@@]2(O[C@]1(CC2)[H])[H])(C(c1ccc(cc1)C)=O)[H])[H])=O
SPLASH splash10-014i-8900000000-68f36782f7dbc953ff80
Source of Spectrum O1-63-70-3
Wiley ID 1592489