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5,13-bis{ (Hydroxycarbonyl)methoxy}[2.2]metacyclophane
SpectraBase Compound ID H2HIOHTQtXw
InChI InChI=1S/C20H20O6/c21-19(22)11-25-17-9-14-2-1-13-4-6-18(26-12-20(23)24)16(8-13)5-3-15(7-14)10-17/h4,6-10H,1-3,5,11-12H2,(H,21,22)(H,23,24)
InChIKey XAVVJBOZYXFTKH-UHFFFAOYSA-N
Mol Weight 356.37 g/mol
Molecular Formula C20H20O6
Exact Mass 356.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lw7h2npuGt5
Name 5,13-bis{ (Hydroxycarbonyl)methoxy}[2.2]metacyclophane
Alternate Name(s) {[12-(carboxymethoxy)tricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaen-6-yl]oxy}acetic acid
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Formula C20H20O6
InChI InChI=1S/C20H20O6/c21-19(22)11-25-17-9-14-2-1-13-4-6-18(26-12-20(23)24)16(8-13)5-3-15(7-14)10-17/h4,6-10H,1-3,5,11-12H2,(H,21,22)(H,23,24)
InChIKey XAVVJBOZYXFTKH-UHFFFAOYSA-N
Molecular Weight 356.374 g/mol
SMILES OC(COc1c2CCc3cc(OCC(=O)O)cc(CCc(cc1)c2)c3)=O
SPLASH splash10-0a4i-0059000000-81d4698b7c7e451a6f64
Source of Spectrum K-126-2490-26
Wiley ID 1345816