| SpectraBase Spectrum ID |
EIsYWj54ulG |
| Name |
Methyl 4-deuteriobenzoate |
| Alternate Name(s) |
N-(1,1,2,2,2-pentadeuterioethyl)aniline |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H6D5N |
| InChI |
InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3/i1D3,2D2 |
| InChIKey |
OJGMBLNIHDZDGS-ZBJDZAJPSA-N |
| Molecular Weight |
126.214 g/mol |
| SMILES |
N(c1ccccc1)C(C([D])([D])[D])([D])[D] |
| SPLASH |
splash10-0a6r-0900000000-80a2fd3fa8ff6090737b |
| Source of Spectrum |
QE-14-3378-D-26 |
| Wiley ID |
1691986 |
