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(5S,5aR,8aR)-5-(1,3-benzodioxol-5-yl)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxole
SpectraBase Compound ID G3Pp7YXwLuV
InChI InChI=1S/C20H18O5/c1-2-16-17(23-9-22-16)4-11(1)20-14-6-19-18(24-10-25-19)5-12(14)3-13-7-21-8-15(13)20/h1-2,4-6,13,15,20H,3,7-10H2/t13-,15-,20-/m0/s1
InChIKey KLCBCLRWLWMTMA-KPHUOKFYSA-N
Mol Weight 338.36 g/mol
Molecular Formula C20H18O5
Exact Mass 338.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWpbuhReBzf
Name (5S,5aR,8aR)-5-(1,3-benzodioxol-5-yl)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxole
Alternate Name(s) (5S,5aR,8aR)-5-(1,3-benzodioxol-5-yl)-5,5a,6,8,8a,9-hexahydroisobenzofuro[5,6-f][1,3]benzodioxole
CAS Registry Number 133494-54-9
Comments Removed - unrepairable contamination (CH2Cl2)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O5
InChI InChI=1S/C20H18O5/c1-2-16-17(23-9-22-16)4-11(1)20-14-6-19-18(24-10-25-19)5-12(14)3-13-7-21-8-15(13)20/h1-2,4-6,13,15,20H,3,7-10H2/t13-,15-,20-/m0/s1
InChIKey KLCBCLRWLWMTMA-KPHUOKFYSA-N
Molecular Weight 338.359 g/mol
SMILES c12[C@](c3cc4OCOc4cc3)([C@]3(COC[C@@]3(Cc2cc2c(c1)OCO2)[H])[H])[H]
SPLASH splash10-0012-9003000000-44586bbad6fd6abe7eac
Source of Spectrum F-47-1282-9
Wiley ID 1333840