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Cycloheptanone, 3-(3,3-dimethylbutyl)-

View entire compound with spectra: 1 MS (GC)

Cycloheptanone, 3-(3,3-dimethylbutyl)-
SpectraBase Compound ID 1KSOOgxugYQ
InChI InChI=1S/C13H24O/c1-13(2,3)9-8-11-6-4-5-7-12(14)10-11/h11H,4-10H2,1-3H3
InChIKey VSTJKRMTNDBZND-UHFFFAOYSA-N
Mol Weight 196.33 g/mol
Molecular Formula C13H24O
Exact Mass 196.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dJDpQ0s9hP
Name Cycloheptanone, 3-(3,3-dimethylbutyl)-
CAS Registry Number 40564-95-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O
InChI InChI=1S/C13H24O/c1-13(2,3)9-8-11-6-4-5-7-12(14)10-11/h11H,4-10H2,1-3H3
InChIKey VSTJKRMTNDBZND-UHFFFAOYSA-N
Molecular Weight 196.334 g/mol
SMILES C1C(CCCCC1=O)CCC(C)(C)C
SPLASH splash10-08fr-9400000000-3870a47bbaa9ce99e53e
Source of Spectrum AC-73-347-3
Synonyms 3-(3,3-Dimethylbutyl)cycloheptanone 3-(3,3-dimethylbutyl)-1-cycloheptanone 3-(3,3-dimethylbutyl)cycloheptan-1-one
Wiley ID 1193910