(3E)-4-(5-Hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-buten-2-one

SpectraBase Compound ID	2TPfFDgatdF
InChI	InChI=1S/C13H20O3/c1-9(14)5-8-13-11(2,3)7-6-10(15)12(13,4)16-13/h5,8,10,15H,6-7H2,1-4H3/b8-5+
InChIKey	LFMHPLZXZJLBKS-VMPITWQZSA-N Google Search
Mol Weight	224.3 g/mol
Molecular Formula	C13H20O3
Exact Mass	224.141245 g/mol

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SpectraBase Spectrum ID	CfZ6TxIydJs
Name	(3E)-4-(5-Hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-buten-2-one
Alternate Name(s)	4-Hydroxy-5,6-epoxy-.beta.-ionone (E)-4-(1,5,5-trimethyl-2-oxidanyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one (E)-4-(2-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)-3-buten-2-one (E)-4-(2-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one
CAS Registry Number	70412-45-2
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)7-6-10(15)12(13,4)16-13/h5,8,10,15H,6-7H2,1-4H3/b8-5+
InChIKey	LFMHPLZXZJLBKS-VMPITWQZSA-N
Molecular Weight	224.300 g/mol
SMILES	OC1C2(C(O2)(\C=C\C(=O)C)C(CC1)(C)C)C
SPLASH	splash10-006x-9600000000-188855c80a1649a43880
Source of Spectrum	PR-241-0-0
Wiley ID	1225347