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2-Penten-1-one, 1-bicyclo[4.1.0]hept-7-yl-
SpectraBase Compound ID 78YYu7NQg9q
InChI InChI=1S/C12H18O/c1-2-3-8-11(13)12-9-6-4-5-7-10(9)12/h3,8-10,12H,2,4-7H2,1H3/b8-3+
InChIKey HTOGGPQRPSHSPC-FPYGCLRLSA-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 JjZpi8rQd71
Name 2-Penten-1-one, 1-bicyclo[4.1.0]hept-7-yl-
Alternate Name(s) (2E)-1-bicyclo[4.1.0]hept-7-yl-2-penten-1-one 7-(1-Butenyl)carbonyl)bicyclo[4.1.0]heptane
CAS Registry Number 108163-53-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-2-3-8-11(13)12-9-6-4-5-7-10(9)12/h3,8-10,12H,2,4-7H2,1H3/b8-3+
InChIKey HTOGGPQRPSHSPC-FPYGCLRLSA-N
Molecular Weight 178.275 g/mol
SMILES C12C(CCCC2)C1C(\C=C\CC)=O
SPLASH splash10-002f-9100000000-8bada5089d1479dae69a
Source of Spectrum AJ-59-2859-20
Wiley ID 1174771