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3-tert-Butyl-6-oxo-1-cyclohexene-1-carboxaldehyde
SpectraBase Compound ID Fd1U3EQ6Clb
InChI InChI=1S/C11H16O2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12/h6-7,9H,4-5H2,1-3H3
InChIKey IXGMYGWETPDDAQ-UHFFFAOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rJoqF7K715
Name 3-tert-Butyl-6-oxo-1-cyclohexene-1-carboxaldehyde
CAS Registry Number 94250-49-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12/h6-7,9H,4-5H2,1-3H3
InChIKey IXGMYGWETPDDAQ-UHFFFAOYSA-N
Molecular Weight 180.247 g/mol
SMILES C1(=CC(C(C)(C)C)CCC1=O)C=O
SPLASH splash10-014i-0900000000-984904287417a0f4c144
Source of Spectrum J-50-444-12
Synonyms 3-tert-Butyl-6-oxo-1-cyclohexene-1-carbaldehyde 3-tert-Butyl-6-oxo-1-cyclohexenecarboxaldehyde 3-tert-Butyl-6-oxocyclohexene-1-carbaldehyde 3-tert-Butyl-6-oxo-cyclohexene-1-carbaldehyde 3-tert-Butyl-6-oxidanylidene-cyclohexene-1-carbaldehyde
Wiley ID 1176570