| SpectraBase Compound ID | HcD4nOzZV1G |
|---|---|
| InChI | InChI=1S/C20H19NO3/c22-18-13-7-12-17(21-14-15-8-3-1-4-9-15)19(18)24-20(23)16-10-5-2-6-11-16/h1-6,8-11,21H,7,12-14H2/i2D,5D,6D,10D,11D |
| InChIKey | MJISOOYEPXLJMO-GGFWIOISSA-N |
| Mol Weight | 326.41 g/mol |
| Molecular Formula | C20H142D5NO3 |
| Exact Mass | 326.167877 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AeSUAFCFOMS |
|---|---|
| Name | 2-(Pentadeuterio-benzoyloxy)-3-(N-benzylamino)cyclohex-2-en-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H14D5NO3 |
| InChI | InChI=1S/C20H19NO3/c22-18-13-7-12-17(21-14-15-8-3-1-4-9-15)19(18)24-20(23)16-10-5-2-6-11-16/h1-6,8-11,21H,7,12-14H2/i2D,5D,6D,10D,11D |
| InChIKey | MJISOOYEPXLJMO-GGFWIOISSA-N |
| Molecular Weight | 326.407 g/mol |
| SMILES | N(C1=C(C(CCC1)=O)OC(c1c(c(c(c(c1[2D])[2D])[2D])[2D])[2D])=O)Cc1ccccc1 |
| SPLASH | splash10-03dl-6921000000-ff2a4e08799a28f45174 |
| Source of Spectrum | K1-2003-198-8 |
| Synonyms | 2,3,4,5,6-pentadeuteriobenzoic acid[2-(benzylamino)-6-keto-cyclohexen-1-yl]ester 2,3,4,5,6-pentadeuteriobenzoic acid[6-oxo-2-[(phenylmethyl)amino]-1-cyclohexenyl]ester [2-(benzylamino)-6-oxo-cyclohexen-1-yl]2,3,4,5,6-pentadeuteriobenzoate [6-oxidanylidene-2-[(phenylmethyl)amino]cyclohexen-1-yl]2,3,4,5,6-pentadeuteriobenzoate 2,3,4,5,6-pentadeuteriobenzoic acid [6-oxo-2-[(phenylmethyl)amino]-1-cyclohexenyl] ester [2-(benzylamino)-6-oxocyclohexen-1-yl] 2,3,4,5,6-pentadeuteriobenzoate [2-(benzylamino)-6-oxo-cyclohexen-1-yl] 2,3,4,5,6-pentadeuteriobenzoate [6-oxidanylidene-2-[(phenylmethyl)amino]cyclohexen-1-yl] 2,3,4,5,6-pentadeuteriobenzoate |
| Wiley ID | 1520632 |