2-(Pentadeuterio-benzoyloxy)-3-(N-benzylamino)-5,5-dimethylcyclohex-2-en-1-one

SpectraBase Compound ID	L3zkidrWvLU
InChI	InChI=1S/C22H23NO3/c1-22(2)13-18(23-15-16-9-5-3-6-10-16)20(19(24)14-22)26-21(25)17-11-7-4-8-12-17/h3-12,23H,13-15H2,1-2H3/i4D,7D,8D,11D,12D
InChIKey	MKWDYQNMJDLEMY-SCUSKTIWSA-N Google Search
Mol Weight	354.46 g/mol
Molecular Formula	C22H182D5NO3
Exact Mass	354.199177 g/mol

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SpectraBase Spectrum ID	ICtbCBxCiDf
Name	2-(Pentadeuterio-benzoyloxy)-3-(N-benzylamino)-5,5-dimethylcyclohex-2-en-1-one
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H18D5NO3
InChI	InChI=1S/C22H23NO3/c1-22(2)13-18(23-15-16-9-5-3-6-10-16)20(19(24)14-22)26-21(25)17-11-7-4-8-12-17/h3-12,23H,13-15H2,1-2H3/i4D,7D,8D,11D,12D
InChIKey	MKWDYQNMJDLEMY-SCUSKTIWSA-N
Molecular Weight	354.461 g/mol
SMILES	N(C1=C(C(CC(C1)(C)C)=O)OC(c1c(c(c(c(c1[2D])[2D])[2D])[2D])[2D])=O)Cc1ccccc1
SPLASH	splash10-01ox-8951000000-6042727090d44981cff1
Source of Spectrum	K1-2003-198-8
Synonyms	2,3,4,5,6-pentadeuteriobenzoic acid[2-(benzylamino)-6-keto-4,4-dimethyl-cyclohexen-1-yl]ester 2,3,4,5,6-pentadeuteriobenzoic acid[4,4-dimethyl-6-oxo-2-[(phenylmethyl)amino]-1-cyclohexenyl]ester [2-(benzylamino)-4,4-dimethyl-6-oxo-cyclohexen-1-yl]2,3,4,5,6-pentadeuteriobenzoate [4,4-dimethyl-6-oxidanylidene-2-[(phenylmethyl)amino]cyclohexen-1-yl]2,3,4,5,6-pentadeuteriobenzoate 2,3,4,5,6-pentadeuteriobenzoic acid [4,4-dimethyl-6-oxo-2-[(phenylmethyl)amino]-1-cyclohexenyl] ester [2-(benzylamino)-4,4-dimethyl-6-oxocyclohexen-1-yl] 2,3,4,5,6-pentadeuteriobenzoate [2-(benzylamino)-4,4-dimethyl-6-oxo-cyclohexen-1-yl] 2,3,4,5,6-pentadeuteriobenzoate [4,4-dimethyl-6-oxidanylidene-2-[(phenylmethyl)amino]cyclohexen-1-yl] 2,3,4,5,6-pentadeuteriobenzoate
Wiley ID	1520630