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2-Cyclohepten-1-one, 4-(1,1-dimethylethyl)-
SpectraBase Compound ID I8OW0UZ5IRD
InChI InChI=1S/C11H18O/c1-11(2,3)9-5-4-6-10(12)8-7-9/h7-9H,4-6H2,1-3H3
InChIKey KWCVFLXSDFTKSA-UHFFFAOYSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPDHCrDUAX
Name 2-Cyclohepten-1-one, 4-(1,1-dimethylethyl)-
Alternate Name(s) 4-tert-Butyl-2-cyclohepten-1-one 4-tert-Butylcyclohept-2-enone
CAS Registry Number 71837-45-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O
InChI InChI=1S/C11H18O/c1-11(2,3)9-5-4-6-10(12)8-7-9/h7-9H,4-6H2,1-3H3
InChIKey KWCVFLXSDFTKSA-UHFFFAOYSA-N
Molecular Weight 166.264 g/mol
SMILES C1=CC(=O)CCCC1C(C)(C)C
SPLASH splash10-0bt9-9600000000-15b2d1cb66b012f02bb5
Source of Spectrum J-44-4485-0
Wiley ID 1162941