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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 H4GseS9ACQW
Name 5-ACETYL-2,2-DIMETHYL-7-(2-OXOPROPYL)CYCLOHEPTANONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 238.1563
SMILES C1CC(C(C)=O)CC(CC(C)=O)C(=O)C1(C)C
SPLASH splash10-0006-9500000000-63a1d93afb3b2bfe656a
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany