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(S)-endo-4-Butylbicyclo[3.2.1]oct-2-en-8-one
SpectraBase Compound ID B91eDF8PjRe
InChI InChI=1S/C12H18O/c1-2-3-4-9-5-6-10-7-8-11(9)12(10)13/h5-6,9-11H,2-4,7-8H2,1H3/t9-,10-,11-/m0/s1
InChIKey HMWDXAUNAYZPKK-DCAQKATOSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XNL3LAafwa
Name (S)-endo-4-Butylbicyclo[3.2.1]oct-2-en-8-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-2-3-4-9-5-6-10-7-8-11(9)12(10)13/h5-6,9-11H,2-4,7-8H2,1H3/t9-,10-,11-/m0/s1
InChIKey HMWDXAUNAYZPKK-DCAQKATOSA-N
Molecular Weight 178.275 g/mol
SMILES C1([C@]2(CC[C@@]1(C=C[C@@]2(CCCC)[H])[H])[H])=O
SPLASH splash10-0060-8900000000-cf9e366356cbe0292f66
Source of Spectrum SO-0-491-4
Synonyms (4S)-4-butylbicyclo[3.2.1]oct-2-en-8-one endo-4-Butylbicyclo[3.2.1]oct-2-en-8-one
Wiley ID 873603