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1-(2,6,6-trimethyl-5-oxidanyl-cyclohexen-1-yl)butan-1-one
SpectraBase Compound ID LnPUNFPox6P
InChI InChI=1S/C13H22O2/c1-5-6-10(14)12-9(2)7-8-11(15)13(12,3)4/h11,15H,5-8H2,1-4H3
InChIKey OYDQIXUXUWXTGY-UHFFFAOYSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OBX3GOgVsR
Name 1-(2,6,6-trimethyl-5-oxidanyl-cyclohexen-1-yl)butan-1-one
CAS Registry Number 53398-16-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-5-6-10(14)12-9(2)7-8-11(15)13(12,3)4/h11,15H,5-8H2,1-4H3
InChIKey OYDQIXUXUWXTGY-UHFFFAOYSA-N
Molecular Weight 210.317 g/mol
SMILES OC1C(C(=C(CC1)C)C(=O)CCC)(C)C
SPLASH splash10-00r6-8900000000-cbfa7726cd1e2fc6b677
Source of Spectrum H-56-2035-17
Synonyms 1-(5-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-1-butanone 1-(5-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)butan-1-one
Wiley ID 1209493