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4,7-Ethenocyclopropa[4,5]cyclohepta[1,2-c]furan-5,5(1H)-dicarboxylic acid, 3,3a,4,4a,5a,6,7,7a-octahydro-1,3-dioxo-, dimethyl ester, (3a.alpha.,4.beta.,4a.alpha.,5a.alpha.,7.beta.,7a.alpha.)-
SpectraBase Compound ID ChBERz4S4zy
InChI InChI=1S/C16H16O7/c1-21-14(19)16(15(20)22-2)8-5-6-3-4-7(11(8)16)10-9(6)12(17)23-13(10)18/h3-4,6-11H,5H2,1-2H3/t6-,7-,8+,9-,10+,11-/m0/s1
InChIKey VWKCYLNBZNGHLB-IMHINIOTSA-N
Mol Weight 320.3 g/mol
Molecular Formula C16H16O7
Exact Mass 320.089603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AtTAXhyzI
Name 4,7-Ethenocyclopropa[4,5]cyclohepta[1,2-c]furan-5,5(1H)-dicarboxylic acid, 3,3a,4,4a,5a,6,7,7a-octahydro-1,3-dioxo-, dimethyl ester, (3a.alpha.,4.beta.,4a.alpha.,5a.alpha.,7.beta.,7a.alpha.)-
Alternate Name(s) 3,3-bis(methoxycarboxyl)tricyclo[4.2.2.0(2,4)]]dec-9-en-7,8-dicarboxylicacid anhydride Dimethyl (1R,2S,6R,7R,8S,10R)-3,5-dioxo-4-oxatetracyclo[5.4.2.0(2,6).0(8,10)]tridec-12-ene-9,9-dicarboxylate
CAS Registry Number 67242-12-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O7
InChI InChI=1S/C16H16O7/c1-21-14(19)16(15(20)22-2)8-5-6-3-4-7(11(8)16)10-9(6)12(17)23-13(10)18/h3-4,6-11H,5H2,1-2H3/t6-,7-,8+,9-,10+,11-/m0/s1
InChIKey VWKCYLNBZNGHLB-IMHINIOTSA-N
Molecular Weight 320.297 g/mol
SMILES C1([C@]2([C@@]3([C@]4(C(OC([C@]4([C@](C[C@@]12[H])(C=C3)[H])[H])=O)=O)[H])[H])[H])(C(=O)OC)C(=O)OC
SPLASH splash10-03gl-5920000000-d7bd7b77dce6c6480d4d
Source of Spectrum K-111-1749-0
Wiley ID 1319916