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4-tert-Butyl-2-2(hydroxymethylene)-3-cyclohexen-1-one
SpectraBase Compound ID 7OQrXbzi1J6
InChI InChI=1S/C11H16O2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12/h6-7,12H,4-5H2,1-3H3/b8-7+
InChIKey XPVOJDHTJDKLLG-BQYQJAHWSA-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 H4vBEk0fF0e
Name 4-tert-Butyl-2-2(hydroxymethylene)-3-cyclohexen-1-one
Alternate Name(s) (2E)-4-tert-butyl-2-(hydroxymethylene)-3-cyclohexen-1-one
CAS Registry Number 94250-50-7
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/h6-7,12H,4-5H2,1-3H3/b8-7+
InChIKey XPVOJDHTJDKLLG-BQYQJAHWSA-N
Molecular Weight 180.247 g/mol
SMILES O\C=C/1C=C(C(C)(C)C)CCC1=O
SPLASH splash10-014i-3900000000-41f9d7957275c51ee803
Source of Spectrum J-50-445-16
Wiley ID 1176571