| SpectraBase Spectrum ID |
EdWGOjI3JVz |
| Name |
2-Pentenoic acid, 2-(benzoylamino)-5,5,5-trifluoro-4-methyl-, (Z)-(.+-.)- |
| Alternate Name(s) |
(2Z)-2-(benzoylamino)-5,5,5-trifluoro-4-methyl-2-pentenoic acid
(Z)-2-Benzamido-4-(trifluoromethyl)-2-pentenoic acid (N-benzoyldehydrotrifluoroleucine) |
| CAS Registry Number |
122489-83-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12F3NO3 |
| InChI |
InChI=1S/C13H12F3NO3/c1-8(13(14,15)16)7-10(12(19)20)17-11(18)9-5-3-2-4-6-9/h2-8H,1H3,(H,17,18)(H,19,20)/b10-7- |
| InChIKey |
ZJOZRJZFDDCQJQ-YFHOEESVSA-N |
| Molecular Weight |
287.238 g/mol |
| SMILES |
N(\C(C(=O)O)=C/C(C(F)(F)F)C)C(=O)c1ccccc1 |
| SPLASH |
splash10-0a4i-0900000000-c6d68abf7cb8362bb6f9 |
| Source of Spectrum |
J-54-4517-9 |
| Wiley ID |
1290649 |
