For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID I2HT3uinZt8
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
Comments Note: The molecular formula of the structure shown is C13H20O2 - which differs from the formula reported for the mass spectrum (C13H15D5O2)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15D5O2
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(CCCC(C)(C)C2(O1)\C=C\C(=O)C)C
SPLASH splash10-00di-6900000000-3d28596196b6860784be
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 1483025