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3-Penten-2-one, 5-(2,2,6-trimethyl-1,3-dioxan-4-yl)-, (4S-cis)-
SpectraBase Compound ID LsqItu9KjWV
InChI InChI=1S/C12H20O3/c1-9(13)6-5-7-11-8-10(2)14-12(3,4)15-11/h5-6,10-11H,7-8H2,1-4H3/b6-5+/t10-,11+/m1/s1
InChIKey JVIHMGRJVSKVQM-PVTPVBHGSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I5g97mCUs3R
Name 3-Penten-2-one, 5-(2,2,6-trimethyl-1,3-dioxan-4-yl)-, (4S-cis)-
CAS Registry Number 126080-54-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-9(13)6-5-7-11-8-10(2)14-12(3,4)15-11/h5-6,10-11H,7-8H2,1-4H3/b6-5+/t10-,11+/m1/s1
InChIKey JVIHMGRJVSKVQM-PVTPVBHGSA-N
Molecular Weight 212.289 g/mol
SMILES C1(O[C@](C)(C[C@@](O1)(C\C=C\C(=O)C)[H])[H])(C)C
SPLASH splash10-052g-9200000000-e88aab427dcd65885ae0
Source of Spectrum H-72-1286-6
Synonyms (-)-(6R,8R)-6,8-(Isopropylidenedioxy)non-3-en-2-one (3E)-5-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]-3-penten-2-one
Wiley ID 1211523