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Bicyclo[3.2.0]hept-6-en-2-one, 1-pentyl-
SpectraBase Compound ID I0d6je9RmqM
InChI InChI=1S/C12H18O/c1-2-3-4-8-12-9-7-10(12)5-6-11(12)13/h7,9-10H,2-6,8H2,1H3/t10-,12+/m0/s1
InChIKey HNWFZHIXRIZLLH-CMPLNLGQSA-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 A6WxjOsnFKs
Name Bicyclo[3.2.0]hept-6-en-2-one, 1-pentyl-
Alternate Name(s) (1R,5S)-1-pentylbicyclo[3.2.0]hept-6-en-2-one 1-Pentyl-cis-bicyclo(3.2.0)hept-6-en-2-one
CAS Registry Number 54396-53-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-2-3-4-8-12-9-7-10(12)5-6-11(12)13/h7,9-10H,2-6,8H2,1H3/t10-,12+/m0/s1
InChIKey HNWFZHIXRIZLLH-CMPLNLGQSA-N
Molecular Weight 178.275 g/mol
SMILES [C@@]12(C=C[C@@]2(CCC1=O)[H])CCCCC
SPLASH splash10-002f-9600000000-15e80b8944c16dfaf4c6
Source of Spectrum W5-1989-6740-1
Wiley ID 1174677