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(2S,3R)-cis-endo-3-(2-Isopropoxycarbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
SpectraBase Compound ID HMMFZE2ihZ1
InChI InChI=1S/C13H18O4/c1-7(2)17-13(16)11-9-5-3-8(4-6-9)10(11)12(14)15/h3,5,7-11H,4,6H2,1-2H3,(H,14,15)/t8-,9+,10-,11+/m0/s1
InChIKey QDHWBASRYOMROR-ZRUFSTJUSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvhMRZ57FbW
Name (2S,3R)-cis-endo-3-(2-Isopropoxycarbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Alternate Name(s) (2S,3R)-3-(isopropoxycarbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-7(2)17-13(16)11-9-5-3-8(4-6-9)10(11)12(14)15/h3,5,7-11H,4,6H2,1-2H3,(H,14,15)/t8-,9+,10-,11+/m0/s1
InChIKey QDHWBASRYOMROR-ZRUFSTJUSA-N
Molecular Weight 238.283 g/mol
SMILES OC([C@@]1([C@](C(OC(C)C)=O)([C@@]2(C=C[C@]1(CC2)[H])[H])[H])[H])=O
SPLASH splash10-004i-5900000000-c7add8dadfce7c8097a8
Source of Spectrum J-63-1195-24
Wiley ID 1240560