| SpectraBase Spectrum ID |
DkkvOHzJfRk |
| Name |
(2R,1'S)-2-isocyano-3-phenyl-N-(1'-phenylethyl)propionamide |
| Alternate Name(s) |
(2R)-2-isocyano-3-phenyl-N-[(1S)-1-phenylethyl]propanamide |
| CAS Registry Number |
112681-17-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H18N2O |
| InChI |
InChI=1S/C18H18N2O/c1-14(16-11-7-4-8-12-16)20-18(21)17(19-2)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1H3,(H,20,21)/t14-,17+/m0/s1 |
| InChIKey |
LMNJCXFSRUWWAZ-WMLDXEAASA-N |
| Molecular Weight |
278.355 g/mol |
| SMILES |
N(C([C@]([N+]#[C-])(Cc1ccccc1)[H])=O)[C@](c1ccccc1)(C)[H] |
| SPLASH |
splash10-0a4i-0900000000-d161310cf4ccaaa7c3e3 |
| Source of Spectrum |
K-121-512-22 |
| Wiley ID |
1282427 |
