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4,5-Dihydroxy-1,8,11-trioxy-2,3:6,7-dibenzocyclotridecane
SpectraBase Compound ID BkiOQXaKt1H
InChI InChI=1S/C18H20O5/c19-17-13-5-1-3-7-15(13)22-11-9-21-10-12-23-16-8-4-2-6-14(16)18(17)20/h1-8,17-20H,9-12H2
InChIKey MLVLHYPBSLPVMQ-UHFFFAOYSA-N
Mol Weight 316.35 g/mol
Molecular Formula C18H20O5
Exact Mass 316.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXYzBW8zqQr
Name 4,5-Dihydroxy-1,8,11-trioxy-2,3:6,7-dibenzocyclotridecane
Alternate Name(s) 4,5-Dihydroxy-1,8,11-trioxa-2,3:6,7-dibenzocyclotridecane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O5
InChI InChI=1S/C18H20O5/c19-17-13-5-1-3-7-15(13)22-11-9-21-10-12-23-16-8-4-2-6-14(16)18(17)20/h1-8,17-20H,9-12H2
InChIKey MLVLHYPBSLPVMQ-UHFFFAOYSA-N
Molecular Weight 316.353 g/mol
SMILES OC1C(c2c(OCCOCCOc3c1cccc3)cccc2)O
SPLASH splash10-00fr-3900000000-c452dd2b108ed1b83fd4
Source of Spectrum H1-53-2467-1
Wiley ID 818074