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5-Acetyl-2,2-dimethyl-7-(2-oxopropyl)-1-cycloheptanone
SpectraBase Compound ID F7j9D6XR8Kp
InChI InChI=1S/C14H22O3/c1-9(15)7-12-8-11(10(2)16)5-6-14(3,4)13(12)17/h11-12H,5-8H2,1-4H3
InChIKey HMOCTUIILWMEAG-UHFFFAOYSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WEfQ7sRief
Name 5-Acetyl-2,2-dimethyl-7-(2-oxopropyl)-1-cycloheptanone
CAS Registry Number 71596-83-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-9(15)7-12-8-11(10(2)16)5-6-14(3,4)13(12)17/h11-12H,5-8H2,1-4H3
InChIKey HMOCTUIILWMEAG-UHFFFAOYSA-N
Molecular Weight 238.327 g/mol
SMILES C1(C(C(CCC(C1)C(=O)C)(C)C)=O)CC(=O)C
SPLASH splash10-0006-9400000000-242d4001da79a16e4ffb
Source of Spectrum H-62-1661-0
Synonyms 5-Acetyl-2,2-dimethyl-7-(2-oxopropyl)cycloheptan-1-one 5-Ethanoyl-2,2-dimethyl-7-(2-oxidanylidenepropyl)cycloheptan-1-one Cycloheptanone, 4-acetyl-7,7-dimethyl-2-(2-oxopropyl)- 7-Acetonyl-5-acetyl-2,2-dimethyl-cycloheptanone
Wiley ID 1240742