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4-Cycloocten-1-one, 5-(1,1-dimethylethyl)-
SpectraBase Compound ID BmoATg3Iq6C
InChI InChI=1S/C12H20O/c1-12(2,3)10-6-4-8-11(13)9-5-7-10/h6H,4-5,7-9H2,1-3H3/b10-6+
InChIKey TUFLQYQTTFUXPZ-UXBLZVDNSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzgF22mfzQU
Name 4-Cycloocten-1-one, 5-(1,1-dimethylethyl)-
Alternate Name(s) 5-tert-Butyl-4-cycloocten-1-one
CAS Registry Number 119770-14-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-12(2,3)10-6-4-8-11(13)9-5-7-10/h6H,4-5,7-9H2,1-3H3/b10-6+
InChIKey TUFLQYQTTFUXPZ-UXBLZVDNSA-N
Molecular Weight 180.291 g/mol
SMILES C(\C1=C\CCC(=O)CCC1)(C)(C)C
SPLASH splash10-0pb9-9500000000-3652cdacb301a878a2da
Source of Spectrum J-54-2333-6
Wiley ID 1176907