![3-[2-[(N-(Benzyl-D7)-N-(methoxycarbonylmethyl))amino]ethyl]-2-cyclohexenone](/api/spectrum/1giirElvo4T/structure.png?h=300&w=458 "3-[2-[(N-(Benzyl-D7)-N-(methoxycarbonylmethyl))amino]ethyl]-2-cyclohexenone")
| SpectraBase Compound ID | Jbiik8qoYos |
|---|---|
| InChI | InChI=1S/C18H23NO3/c1-22-18(21)14-19(13-16-6-3-2-4-7-16)11-10-15-8-5-9-17(20)12-15/h2-4,6-7,12H,5,8-11,13-14H2,1H3/i2D,3D,4D,6D,7D,13D2 |
| InChIKey | SFZWBDPCMKOVEI-NAWNYXLLSA-N |
| Mol Weight | 308.43 g/mol |
| Molecular Formula | C18H162D7NO3 |
| Exact Mass | 308.211731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1giirElvo4T |
|---|---|
| Name | 3-[2-[(N-(Benzyl-D7)-N-(methoxycarbonylmethyl))amino]ethyl]-2-cyclohexenone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H16D7NO3 |
| InChI | InChI=1S/C18H23NO3/c1-22-18(21)14-19(13-16-6-3-2-4-7-16)11-10-15-8-5-9-17(20)12-15/h2-4,6-7,12H,5,8-11,13-14H2,1H3/i2D,3D,4D,6D,7D,13D2 |
| InChIKey | SFZWBDPCMKOVEI-NAWNYXLLSA-N |
| Molecular Weight | 308.429 g/mol |
| SMILES | C1=C(CCN(CC(=O)OC)C(c2c(c([2D])c(c(c2[2D])[2D])[2D])[2D])([2D])[2D])CCCC1=O |
| SPLASH | splash10-0002-0900000000-6308d7b11150d71f3c5d |
| Source of Spectrum | C-113-8874-31 |
| Wiley ID | 1303979 |