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diethyl 3-hydroxy[6]paracyclophane-8,9-dicarboxylate
SpectraBase Compound ID HyMZYstgCEf
InChI InChI=1S/C18H24O5/c1-3-22-17(20)15-12-6-5-7-14(19)11-10-13(9-8-12)16(15)18(21)23-4-2/h8-9,14,19H,3-7,10-11H2,1-2H3
InChIKey XWKJNHQXGJLXNW-UHFFFAOYSA-N
Mol Weight 320.38 g/mol
Molecular Formula C18H24O5
Exact Mass 320.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6MYSsLhweK4
Name diethyl 3-hydroxy[6]paracyclophane-8,9-dicarboxylate
Alternate Name(s) diethyl 4-hydroxybicyclo[6.2.2]dodeca-1(10),8,11-triene-9,10-dicarboxylate
CAS Registry Number 108645-45-0
Comments Less than 3 mono-isotopic peaks
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Formula C18H24O5
InChI InChI=1S/C18H24O5/c1-3-22-17(20)15-12-6-5-7-14(19)11-10-13(9-8-12)16(15)18(21)23-4-2/h8-9,14,19H,3-7,10-11H2,1-2H3
InChIKey XWKJNHQXGJLXNW-UHFFFAOYSA-N
Molecular Weight 320.385 g/mol
SMILES OC1CCc2c(c(C(=O)OCC)c(CCC1)cc2)C(=O)OCC
SPLASH splash10-0udi-0093000000-ade8340398dabcb76188
Source of Spectrum K-119-311-5
Wiley ID 1320142