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3-Buten-2-one, 4-(6,7,7-trimethyl-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl)-, (E)-
SpectraBase Compound ID ILzACz0inqY
InChI InChI=1S/C13H18O3/c1-9-7-11-8-12(3,4)13(9,16-15-11)6-5-10(2)14/h5-7,11H,8H2,1-4H3/b6-5+/t11-,13+/m1/s1
InChIKey ILYUVUSPRAEFEQ-QJSMKMSWSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lo3b84XptQQ
Name 3-Buten-2-one, 4-(6,7,7-trimethyl-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl)-, (E)-
CAS Registry Number 14482-66-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9-7-11-8-12(3,4)13(9,16-15-11)6-5-10(2)14/h5-7,11H,8H2,1-4H3/b6-5+/t11-,13+/m1/s1
InChIKey ILYUVUSPRAEFEQ-QJSMKMSWSA-N
Molecular Weight 222.284 g/mol
SMILES [C@]12(C(=C[C@](CC2(C)C)(OO1)[H])C)\C=C\C(=O)C
SPLASH splash10-006x-9600000000-56aaf2c6d01ce4efb46a
Source of Spectrum H-64-1772-0
Synonyms (3E)-4-(6,7,7-trimethyl-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl)-3-buten-2-one (E)-4-(6',7',7'-trimethyl-2',3'-dioxabicyclo[2.2.2]oct-5'-en-1'-yl)-3-buten-2-one 2,3-Dioxabicyclo[2.2.2]octane, 3-buten-2-one deriv.
Wiley ID 1222547