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

*Links on SpectraBase are not permalinks.
(3E)-4-(3-Hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-buten-2-one
SpectraBase Compound ID KRUAcXLBPqS
InChI InChI=1S/C13H20O3/c1-9(14)5-8-13-11(2,3)10(15)6-7-12(13,4)16-13/h5,8,10,15H,6-7H2,1-4H3/b8-5+
InChIKey MOYKJDGFSPBECZ-VMPITWQZSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 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 1TEQKFS1I4s
Name (3E)-4-(3-Hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-buten-2-one
CAS Registry Number 85197-95-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9(14)5-8-13-11(2,3)10(15)6-7-12(13,4)16-13/h5,8,10,15H,6-7H2,1-4H3/b8-5+
InChIKey MOYKJDGFSPBECZ-VMPITWQZSA-N
Molecular Weight 224.300 g/mol
SMILES OC1C(C2(C(CC1)(C)O2)\C=C\C(C)=O)(C)C
SPLASH splash10-0596-7900000000-21c8b9f4f581c75194c0
Source of Spectrum H-65-2368-0
Synonyms (E)-4-(1,5,5-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one (E)-4-(4-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)-3-buten-2-one (E)-4-(4-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one 4-(3-Hydroxy-2,2,6-trimethyl-7-oxa-bicyclo[4.1.0]hept-1-yl)-but-3-en-2-one
Wiley ID 1225243