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Cyclohexanone, 4-(acetyloxy)-2,3,3-trimethyl-2-(3-oxo-1-butenyl)-, [2.alpha.(E),4.alpha.]-
SpectraBase Compound ID 2u07LM6CMom
InChI InChI=1S/C15H22O4/c1-10(16)8-9-15(5)12(18)6-7-13(14(15,3)4)19-11(2)17/h8-9,13H,6-7H2,1-5H3/b9-8-/t13-,15+/m1/s1
InChIKey WSLHTSJMZQWXGR-DQOKEGCPSA-N
Mol Weight 266.34 g/mol
Molecular Formula C15H22O4
Exact Mass 266.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gXrTFZfjuh
Name Cyclohexanone, 4-(acetyloxy)-2,3,3-trimethyl-2-(3-oxo-1-butenyl)-, [2.alpha.(E),4.alpha.]-
Alternate Name(s) (1'Z,1R*,3R*)-[3-(3'-oxo-1'-butenyl)-2,2,3-trimethyl-4-oxocyclohexyl]acetate (1R,3R)-2,2,3-trimethyl-4-oxo-3-[(1Z)-3-oxo-1-butenyl]cyclohexyl acetate
CAS Registry Number 85249-14-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O4
InChI InChI=1S/C15H22O4/c1-10(16)8-9-15(5)12(18)6-7-13(14(15,3)4)19-11(2)17/h8-9,13H,6-7H2,1-5H3/b9-8-/t13-,15+/m1/s1
InChIKey WSLHTSJMZQWXGR-DQOKEGCPSA-N
Molecular Weight 266.337 g/mol
SMILES [C@@]1(C([C@](OC(=O)C)(CCC1=O)[H])(C)C)(\C=C/C(=O)C)C
SPLASH splash10-0077-6900000000-c307eee71c724959bc99
Source of Spectrum H-65-2370-0
Wiley ID 1270039