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Dimethyl pseudogem-14 ,17-bis(hydroxymethyl)[3.3]paracyclophane-5,8-dicarboxylate
SpectraBase Compound ID FfZdZdGMKAT
InChI InChI=1S/C24H28O6/c1-29-23(27)21-11-18-8-4-6-16-10-19(13-25)15(9-20(16)14-26)5-3-7-17(21)12-22(18)24(28)30-2/h9-12,25-26H,3-8,13-14H2,1-2H3
InChIKey FRCCOENNDYFBLU-UHFFFAOYSA-N
Mol Weight 412.48 g/mol
Molecular Formula C24H28O6
Exact Mass 412.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5N3JgcMV4Xz
Name Dimethyl pseudogem-14 ,17-bis(hydroxymethyl)[3.3]paracyclophane-5,8-dicarboxylate
Alternate Name(s) Dimethyl 13,15-bis(hydroxymethyl)tricyclo[10.2.2.2(5,8)]octadeca-1(14),5,7,12,15,17-hexaene-6,17-dicarboxylate
CAS Registry Number 105562-33-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28O6
InChI InChI=1S/C24H28O6/c1-29-23(27)21-11-18-8-4-6-16-10-19(13-25)15(9-20(16)14-26)5-3-7-17(21)12-22(18)24(28)30-2/h9-12,25-26H,3-8,13-14H2,1-2H3
InChIKey FRCCOENNDYFBLU-UHFFFAOYSA-N
Molecular Weight 412.482 g/mol
SMILES OCc1cc2CCCc3c(cc(CCCc1cc2CO)c(c3)C(=O)OC)C(=O)OC
SPLASH splash10-01t9-0009500000-3dc4962c80ea192f8232
Source of Spectrum K-120-271-3
Wiley ID 1374497