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THREO-AUSTROBAILIGNAN-5
SpectraBase Compound ID DmohNFlY24Z
InChI InChI=1S/C20H22O4/c1-13(7-15-3-5-17-19(9-15)23-11-21-17)14(2)8-16-4-6-18-20(10-16)24-12-22-18/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3/t13-,14-/m1/s1
InChIKey QEFJURUMSHPMTC-ZIAGYGMSSA-N
Mol Weight 326.39 g/mol
Molecular Formula C20H22O4
Exact Mass 326.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxJby4y8vvH
Name 5-[(2R,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-butyl]-1,3-benzodioxole
CAS Registry Number 55890-23-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O4
InChI InChI=1S/C20H22O4/c1-13(7-15-3-5-17-19(9-15)23-11-21-17)14(2)8-16-4-6-18-20(10-16)24-12-22-18/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3/t13-,14-/m1/s1
InChIKey QEFJURUMSHPMTC-ZIAGYGMSSA-N
Molecular Weight 326.392 g/mol
SMILES c12c(OCO2)ccc(c1)C[C@]([C@@](Cc1cc2OCOc2cc1)(C)[H])(C)[H]
SPLASH splash10-000i-0903000000-4628ea1c04cd81de343f
Source of Spectrum B-28-89-0
Synonyms Austrobailignan 5
Wiley ID 1324947