| SpectraBase Spectrum ID |
AvVrzmXY6Dy |
| Name |
Benzeneacetic acid, 2-(benzoyl-d5)- |
| CAS Registry Number |
129957-27-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H7D5O3 |
| InChI |
InChI=1S/C15H12O3/c16-14(17)10-12-8-4-5-9-13(12)15(18)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)/i1D,2D,3D,6D,7D |
| InChIKey |
RWOPZYIDUDXHIB-FSTBWYLISA-N |
| Molecular Weight |
245.289 g/mol |
| SMILES |
OC(Cc1c(C(=O)c2c(c([2D])c(c(c2[2D])[2D])[2D])[2D])cccc1)=O |
| SPLASH |
splash10-0002-0930000000-4431fed5fe634dc839b6 |
| Source of Spectrum |
B-43-1148-0 |
| Synonyms |
2-[(pentadeuterio)benzoyl]benzeneacetic acid |
| Wiley ID |
1243284 |
