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7-Oxabicyclo[4.1.0]heptan-2-one, 6-(3-hydroxy-1-butenyl)-1,5,5-trimethyl-, [1.alpha.,6.alpha.(1E,3S*)]-
SpectraBase Compound ID 25q6zsULyS0
InChI InChI=1S/C13H20O3/c1-9(14)5-8-13-11(2,3)7-6-10(15)12(13,4)16-13/h5,8-9,14H,6-7H2,1-4H3/b8-5+
InChIKey JGJPHJAEWGLJAV-VMPITWQZSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E9z16mc0hqN
Name 7-Oxabicyclo[4.1.0]heptan-2-one, 6-(3-hydroxy-1-butenyl)-1,5,5-trimethyl-, [1.alpha.,6.alpha.(1E,3S*)]-
CAS Registry Number 71629-28-2
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/h5,8-9,14H,6-7H2,1-4H3/b8-5+
InChIKey JGJPHJAEWGLJAV-VMPITWQZSA-N
Molecular Weight 224.300 g/mol
SMILES OC(\C=C\C12C(C(=O)CCC2(C)C)(C)O1)C
SPLASH splash10-0006-9500000000-2d778485435c8034c448
Source of Spectrum H-62-1659-0
Synonyms (E)-4-(2',2',6'-trimethyl-5'-oxo-1',6'-epoxy-1'-cyclohexyl)-3-buten-2-ol 6-[(1E)-3-hydroxy-1-butenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
Wiley ID 1225238