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Cycloheptanone, 3-(3-butenyl)-2,4-dimethyl-
SpectraBase Compound ID Lgf7SJ3HZIf
InChI InChI=1S/C13H22O/c1-4-5-8-12-10(2)7-6-9-13(14)11(12)3/h4,10-12H,1,5-9H2,2-3H3
InChIKey NWQOMRRTIIIOCD-UHFFFAOYSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2D7VnKBmPg
Name Cycloheptanone, 3-(3-butenyl)-2,4-dimethyl-
Alternate Name(s) 3-(3-Butenyl)-2,4-dimethylcycloheptanone
CAS Registry Number 83096-56-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-4-5-8-12-10(2)7-6-9-13(14)11(12)3/h4,10-12H,1,5-9H2,2-3H3
InChIKey NWQOMRRTIIIOCD-UHFFFAOYSA-N
Molecular Weight 194.318 g/mol
SMILES C1(C(C(CCCC1=O)C)CCC=C)C
SPLASH splash10-00dr-0900000000-b16e467b2697cada0a13
Source of Spectrum C-104-6087-0
Wiley ID 1191393