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Bicyclo[3.3.1]non-2-en-9-one

View entire compound with spectra: 2 MS (GC)

Bicyclo[3.3.1]non-2-en-9-one
SpectraBase Compound ID Kd6AtYxMKqe
InChI InChI=1S/C9H12O/c10-9-7-3-1-4-8(9)6-2-5-7/h1,3,7-8H,2,4-6H2/t7-,8+/m0/s1
InChIKey JBABOCXXIKVIAK-JGVFFNPUSA-N
Mol Weight 136.19 g/mol
Molecular Formula C9H12O
Exact Mass 136.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AarrUKZ0HEp
Name Bicyclo[3.3.1]non-2-en-9-one
Alternate Name(s) 9-bicyclo[3.3.1]non-3-enone bicyclo[3.3.1]non-3-en-9-one
CAS Registry Number 4844-11-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O
InChI InChI=1S/C9H12O/c10-9-7-3-1-4-8(9)6-2-5-7/h1,3,7-8H,2,4-6H2/t7-,8+/m0/s1
InChIKey JBABOCXXIKVIAK-JGVFFNPUSA-N
Molecular Weight 136.194 g/mol
SMILES [C@]12(C([C@](CCC2)(C=CC1)[H])=O)[H]
SPLASH splash10-002r-9300000000-b91b268fc0dda1e21204
Source of Spectrum IC-166-0-0
Wiley ID 1136525