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Bicyclo[4.1.0]heptan-2-one, 3,4,4-trimethyl-3-(3-oxo-1-butenyl)-, [1.alpha.,3.alpha.(Z),6.alpha.]-
SpectraBase Compound ID C5DMNFPiiza
InChI InChI=1S/C14H20O2/c1-9(15)5-6-14(4)12(16)11-7-10(11)8-13(14,2)3/h5-6,10-11H,7-8H2,1-4H3/b6-5-/t10-,11-,14+/m1/s1
InChIKey BFTCGOUEVOKLHU-SQSNHJHCSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35zfgVq1YOj
Name Bicyclo[4.1.0]heptan-2-one, 3,4,4-trimethyl-3-(3-oxo-1-butenyl)-, [1.alpha.,3.alpha.(Z),6.alpha.]-
CAS Registry Number 90242-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-9(15)5-6-14(4)12(16)11-7-10(11)8-13(14,2)3/h5-6,10-11H,7-8H2,1-4H3/b6-5-/t10-,11-,14+/m1/s1
InChIKey BFTCGOUEVOKLHU-SQSNHJHCSA-N
Molecular Weight 220.312 g/mol
SMILES [C@@]12([C@](CC([C@](C2=O)(\C=C/C(=O)C)C)(C)C)([H])C1)[H]
SPLASH splash10-00dl-6900000000-d19e11ec4d054e71de9c
Source of Spectrum H-67-146-0
Synonyms (1R,3R,6R)-3,4,4-trimethyl-3-[(1Z)-3-oxo-1-butenyl]bicyclo[4.1.0]heptan-2-one (Z,1'R*,3'R*,6'R*)-4-(3',4',4'-trimethyl-2'-oxobicyclo[4.1.0]hept-3'-yl)-3-buten-2-one
Wiley ID 1220108