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3-[(4R,5S)-5-[1-(1,3-benzodioxol-5-yl)ethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
SpectraBase Compound ID IFE2t5fxS16
InChI InChI=1S/C17H20O5/c1-11(12-6-7-13-15(9-12)20-10-19-13)16-14(5-4-8-18)21-17(2,3)22-16/h6-9,14,16H,1,4-5,10H2,2-3H3/t14-,16+/m1/s1
InChIKey PSZUAGAISUZWSU-ZBFHGGJFSA-N
Mol Weight 304.34 g/mol
Molecular Formula C17H20O5
Exact Mass 304.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWxdDPVJeuB
Name 3-[(4R,5S)-5-[1-(1,3-benzodioxol-5-yl)ethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O5
InChI InChI=1S/C17H20O5/c1-11(12-6-7-13-15(9-12)20-10-19-13)16-14(5-4-8-18)21-17(2,3)22-16/h6-9,14,16H,1,4-5,10H2,2-3H3/t14-,16+/m1/s1
InChIKey PSZUAGAISUZWSU-ZBFHGGJFSA-N
Molecular Weight 304.342 g/mol
SMILES [C@]1(C(c2cc3OCOc3cc2)=C)(OC(C)(C)O[C@@]1(CCC=O)[H])[H]
SPLASH splash10-0udj-4391000000-9bff862a6274241864a8
Source of Spectrum J-63-3616-42
Synonyms 3-[(4R,5S)-5-[1-(1,3-benzodioxol-5-yl)vinyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propionaldehyde
Wiley ID 1306466