| SpectraBase Spectrum ID |
DWLCJGCj977 |
| Name |
(2S,4'S,5'S)-N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)2-isocyano-3-phenylpropioamide |
| CAS Registry Number |
112711-94-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H24N2O3 |
| InChI |
InChI=1S/C22H24N2O3/c1-22(2)26-15-19(20(27-22)17-12-8-5-9-13-17)24-21(25)18(23-3)14-16-10-6-4-7-11-16/h4-13,18-20H,14-15H2,1-2H3,(H,24,25)/t18-,19-,20-/m0/s1 |
| InChIKey |
LNRXDEGCQMYYKF-UFYCRDLUSA-N |
| Molecular Weight |
364.445 g/mol |
| SMILES |
N(C([C@@]([N+]#[C-])(Cc1ccccc1)[H])=O)[C@@]1([C@@](OC(OC1)(C)C)(c1ccccc1)[H])[H] |
| SPLASH |
splash10-001i-0900000000-bc3ac03d25d7dbf66d7f |
| Source of Spectrum |
K-121-513-24 |
| Synonyms |
(2S)-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-2-isocyano-3-phenylpropanamide |
| Wiley ID |
1350991 |
