3-[(2,5-dihydroxyphenyl)amino]-5,5-dimethyl-2-cyclohexen-1-one

SpectraBase Compound ID	CMhWnfgbenW
InChI	InChI=1S/C14H17NO3/c1-14(2)7-9(5-11(17)8-14)15-12-6-10(16)3-4-13(12)18/h3-6,15-16,18H,7-8H2,1-2H3
InChIKey	VECLGKWPFGCIME-UHFFFAOYSA-N Google Search
Mol Weight	247.29 g/mol
Molecular Formula	C14H17NO3
Exact Mass	247.120843 g/mol

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SpectraBase Spectrum ID	7NZkO0sQsKo
Name	3-[(2,5-dihydroxyphenyl)amino]-5,5-dimethyl-2-cyclohexen-1-one
Alternate Name(s)	3-(2,5-dihydroxyanilino)-5,5-dimethyl-2-cyclohexen-1-one 3-(2,5-dihydroxyanilino)-5,5-dimethyl-1-cyclohex-2-enone 3-(2,5-dihydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one 3-[[2,5-bis(oxidanyl)phenyl]amino]-5,5-dimethyl-cyclohex-2-en-1-one
CAS Registry Number	117527-09-0
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C14H17NO3
InChI	InChI=1S/C14H17NO3/c1-14(2)7-9(5-11(17)8-14)15-12-6-10(16)3-4-13(12)18/h3-6,15-16,18H,7-8H2,1-2H3
InChIKey	VECLGKWPFGCIME-UHFFFAOYSA-N
Molecular Weight	247.294 g/mol
SMILES	N(c1c(ccc(c1)O)O)C1=CC(=O)CC(C1)(C)C
SPLASH	splash10-001i-0090000000-22e73a6184002bd97f81
Source of Spectrum	K-122-211-7
Wiley ID	1250051