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(E)-3-(cyclopropylmethylene)octan-2-one
SpectraBase Compound ID 4GnnypotE36
InChI InChI=1S/C12H20O/c1-3-4-5-6-12(10(2)13)9-11-7-8-11/h9,11H,3-8H2,1-2H3/b12-9+
InChIKey TYJKLVQIVVKNQJ-FMIVXFBMSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JcETmcbMAkW
Name (E)-3-(cyclopropylmethylene)octan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-3-4-5-6-12(10(2)13)9-11-7-8-11/h9,11H,3-8H2,1-2H3/b12-9+
InChIKey TYJKLVQIVVKNQJ-FMIVXFBMSA-N
Ionization Type EI
Molecular Weight 180.291 g/mol
SMILES CC(=O)\C(CCCCC)=C\C1CC1
SPLASH splash10-0006-9400000000-ac5c37adf00ca58a8c9d
Source of Spectrum US20100111888A1
Wiley ID 1842200