Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester

• Formula: C₂₂H₂₂O₅
• Molecular weight: 366.4071
• IUPAC Standard InChI: InChI=1S/C22H22O5/c1-21-13-27-22(14-9-5-4-6-10-14,16-12-8-7-11-15(16)21)18(20(24)26-3)17(21)19(23)25-2/h4-12,17-18H,13H2,1-3H3/t17-,18+,21+,22?/m0/s1 Copy

  
• IUPAC Standard InChIKey: YNXYGYKASMZFRX-KFAFHJTJSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester
  • Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester
  • Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester
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• Information on this page:
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Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, polar column, isothermal

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Karasek, Tchir, et al., 1978
Karasek, F.W.; Tchir, M.F.; Bowers, W.D., Separation and identification of cis-trans isomeric dimethyl esters by a gas chromatography-mass spectrometry-calculator system, J. Chromatogr., 1978, 151, 3, 321-330, https://doi.org/10.1016/S0021-9673(00)88347-8 . [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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