| SpectraBase Spectrum ID |
C4pz8E7Jqek |
| Name |
2,2,2-trifluoroethyl (2S)-3-((1,2,3,4,5,6-(13)C6)cyclohexatrienyl)-2-(ethoxycarbonylamino)propanoate |
| Comments |
Original formula: C8[13C]6H16F3NO4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H16F3NO4 |
| InChI |
InChI=1S/C14H16F3NO4/c1-2-21-13(20)18-11(8-10-6-4-3-5-7-10)12(19)22-9-14(15,16)17/h3-7,11H,2,8-9H2,1H3,(H,18,20)/t11-/m0/s1/i3+1,4+1,5+1,6+1,7+1,10+1 |
| InChIKey |
YWMSKYSQYBNKEH-GOOIAJJHSA-N |
| Instrument Name |
Hewlett-Packard 5890II-5989A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002_(SICI)1097-0231(199711)11_17_1835 |
| Molecular Weight |
325.234 g/mol |
| SMILES |
[13cH]1[13cH][13cH][13cH][13cH][13c]1C[C@@](C(=O)OCC(F)(F)F)(NC(OCC)=O)[H] |
| SPLASH |
splash10-000b-9870000000-4595bd600d8cb3649801 |
| Source of Spectrum |
RCM-11-1837-Fig 2.2 |
| Wiley ID |
1837490 |
