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ZTJZJYUGOJYHCU-RMKNXTFCSA-N
SpectraBase Compound ID Gjhg7b4pj7M
InChI InChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3/b9-6+
InChIKey ZTJZJYUGOJYHCU-RMKNXTFCSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F5aYdjMgMJP
Name (E)-4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)-3-buten-2-one
CAS Registry Number 23267-57-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3/b9-6+
InChIKey ZTJZJYUGOJYHCU-RMKNXTFCSA-N
Molecular Weight 208.301 g/mol
SMILES C12(OC2(CCCC1(C)C)C)\C=C\C(=O)C
SPLASH splash10-00di-0900000000-6b98aa852e762e09f044
Source of Spectrum X2-51-950-13
Synonyms 3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)- (E)-4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one .beta.-Ionon-5,6-epoxide .beta.-Ionone epoxide 7-Oxabicyclo[4.1.0]heptane, 3-buten-2-one deriv. 4-(1,2-Epoxy-2,6,6-trimethylcyclohexyl)-3-butenone-2 5,6-Epoxy-.beta.-ionone 4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-buten-2-one EINECS 245-542-0
Wiley ID 1602821