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(1S*,2R*,5R*)-2-Ethenylbicyclo[4.4.0]deca-3-one
SpectraBase Compound ID 7R6qFS0WYfq
InChI InChI=1S/C12H18O/c1-2-10-11-6-4-3-5-9(11)7-8-12(10)13/h2,9-11H,1,3-8H2/t9?,10-,11+/m1/s1
InChIKey PTKKNVOAGXEWAK-ZOCYIJKUSA-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 3Dn0qWtSoLl
Name (1S*,2R*,5R*)-2-Ethenylbicyclo[4.4.0]deca-3-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-2-10-11-6-4-3-5-9(11)7-8-12(10)13/h2,9-11H,1,3-8H2/t9?,10-,11+/m1/s1
InChIKey PTKKNVOAGXEWAK-ZOCYIJKUSA-N
Molecular Weight 178.275 g/mol
SMILES [C@@]1([C@@]2(C(CCCC2)CCC1=O)[H])(C=C)[H]
SPLASH splash10-002b-9600000000-f973661bb69e22adaaaa
Source of Spectrum SO-0-142-0
Wiley ID 865263