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4-tert-Butylcyclooctanone

View entire compound with spectra: 1 MS (GC)

4-tert-Butylcyclooctanone
SpectraBase Compound ID FyfeDefN0uJ
InChI InChI=1S/C12H22O/c1-12(2,3)10-6-4-5-7-11(13)9-8-10/h10H,4-9H2,1-3H3
InChIKey QTZZJPTZSFSXJU-UHFFFAOYSA-N
Mol Weight 182.31 g/mol
Molecular Formula C12H22O
Exact Mass 182.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8f4BB9ofBY
Name 4-tert-Butylcyclooctanone
CAS Registry Number 76794-10-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O
InChI InChI=1S/C12H22O/c1-12(2,3)10-6-4-5-7-11(13)9-8-10/h10H,4-9H2,1-3H3
InChIKey QTZZJPTZSFSXJU-UHFFFAOYSA-N
Molecular Weight 182.307 g/mol
SMILES C(C1CCC(=O)CCCC1)(C)(C)C
SPLASH splash10-0002-9100000000-ca356d1e9c8fd15f3eaa
Source of Spectrum J-46-1982-0
Synonyms 4-tert-Butyl-1-cyclooctanone 4-tert-Butylcyclooctan-1-one
Wiley ID 1179117