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1,3-Dioxane-5-acetaldehyde, 4-(1,3-benzodioxol-5-yl)-2-phenyl-, (2.alpha.,4.alpha.,5.alpha.)-(.+-.)-
SpectraBase Compound ID 9GFEd0DNrVI
InChI InChI=1S/C19H18O5/c20-9-8-15-11-21-19(13-4-2-1-3-5-13)24-18(15)14-6-7-16-17(10-14)23-12-22-16/h1-7,9-10,15,18-19H,8,11-12H2/t15-,18-,19+/m1/s1
InChIKey XRFSCRPGXSADTO-LZQZEXGQSA-N
Mol Weight 326.35 g/mol
Molecular Formula C19H18O5
Exact Mass 326.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MFZNbq9Yar
Name 1,3-Dioxane-5-acetaldehyde, 4-(1,3-benzodioxol-5-yl)-2-phenyl-, (2.alpha.,4.alpha.,5.alpha.)-(.+-.)-
Alternate Name(s) [(2S,4S,5R)-4-(1,3-benzodioxol-5-yl)-2-phenyl-1,3-dioxan-5-yl]acetaldehyde [R-2-phenyl-c-4-(3',4'-methylenedioxyphenyl)-1,3-dioxan-c-5-yl]-acetaldehyde
CAS Registry Number 108763-72-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O5
InChI InChI=1S/C19H18O5/c20-9-8-15-11-21-19(13-4-2-1-3-5-13)24-18(15)14-6-7-16-17(10-14)23-12-22-16/h1-7,9-10,15,18-19H,8,11-12H2/t15-,18-,19+/m1/s1
InChIKey XRFSCRPGXSADTO-LZQZEXGQSA-N
Molecular Weight 326.348 g/mol
SMILES [C@]1(O[C@](OC[C@]1(CC=O)[H])(c1ccccc1)[H])(c1cc2OCOc2cc1)[H]
SPLASH splash10-0aor-0900000000-a52a54ac7ad96aea46ed
Source of Spectrum F-42-4292-14
Wiley ID 1324844