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4-Butyl-exo-3-methylbicyclo[4.3.0]non-4-en-7-one
SpectraBase Compound ID ABUUCnbItIi
InChI InChI=1S/C14H22O/c1-3-4-5-11-9-13-12(8-10(11)2)6-7-14(13)15/h9-10,12-13H,3-8H2,1-2H3
InChIKey NNBIKPXVSUBOLL-UHFFFAOYSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlZqoeMZEUC
Name 4-Butyl-exo-3-methylbicyclo[4.3.0]non-4-en-7-one
CAS Registry Number 103931-13-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O
InChI InChI=1S/C14H22O/c1-3-4-5-11-9-13-12(8-10(11)2)6-7-14(13)15/h9-10,12-13H,3-8H2,1-2H3
InChIKey NNBIKPXVSUBOLL-UHFFFAOYSA-N
Molecular Weight 206.329 g/mol
SMILES C=1C2C(CCC2=O)CC(C1CCCC)C
SPLASH splash10-0bvl-8920000000-3264d5df818eea0c500c
Source of Spectrum J-53-3672-7
Synonyms 6-Butyl-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-one
Wiley ID 1205214