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4-[bis(Methoxycarbonyl) methyl]-1,6-methano[10]annulene-3-carboxylic acid
SpectraBase Compound ID 7r5HoQTcf62
InChI InChI=1S/C17H16O6/c1-22-16(20)14(17(21)23-2)12-8-10-5-3-4-6-11(7-10)9-13(12)15(18)19/h3-6,8-9,14H,7H2,1-2H3,(H,18,19)
InChIKey WIJSYVLAOBFRMW-UHFFFAOYSA-N
Mol Weight 316.31 g/mol
Molecular Formula C17H16O6
Exact Mass 316.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRN5936lOLk
Name 4-[bis(Methoxycarbonyl) methyl]-1,6-methano[10]annulene-3-carboxylic acid
CAS Registry Number 142797-81-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O6
InChI InChI=1S/C17H16O6/c1-22-16(20)14(17(21)23-2)12-8-10-5-3-4-6-11(7-10)9-13(12)15(18)19/h3-6,8-9,14H,7H2,1-2H3,(H,18,19)
InChIKey WIJSYVLAOBFRMW-UHFFFAOYSA-N
Molecular Weight 316.309 g/mol
SMILES OC(C=1C(C(C(=O)OC)C(=O)OC)=CC2=CC=CC=C(C1)C2)=O
SPLASH splash10-0udj-0490000000-b2a9bca4a50bbe5592da
Source of Spectrum K-125-2231-26
Synonyms 4-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-3-carboxylic acid
Wiley ID 1316668