| SpectraBase Spectrum ID |
HLmkZqv3Fhk |
| Name |
Propanedioic-1,3-13C2 acid, 2-(2-phenylethyl-1-13C)-, diethyl ester |
| Alternate Name(s) |
Diethyl ester of 2-(1-[¹³C]-Phenethyl)-1,3-[¹³C]-malonic acid |
| CAS Registry Number |
67519-32-8 |
| Comments |
Original formula: C12[13C]3H20O4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H20O4 |
| InChI |
InChI=1S/C15H20O4/c1-3-18-14(16)13(15(17)19-4-2)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3/i11+1,14+1,15+1 |
| InChIKey |
LMFLGETWXFOVMQ-OPKXWEIGSA-N |
| Molecular Weight |
267.298 g/mol |
| SMILES |
[13CH2](C([13C](=O)OCC)[13C](=O)OCC)Cc1ccccc1 |
| SPLASH |
splash10-08g3-6900000000-f3b226a0c59a0c30ddb6 |
| Source of Spectrum |
H-61-1754-0 |
| Wiley ID |
104392 |
