| SpectraBase Spectrum ID |
3EU4CjIdyc3 |
| Name |
(Z)-(3S)-3-Phenyl-3-(tert-butoxycarbonylamino)-1-(4'-tolylthio)-1-nitroprop-1-ene |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.145678431 u |
| Formula |
C21H24N2O4S |
| InChI |
InChI=1S/C21H24N2O4S/c1-15-10-12-17(13-11-15)28-19(23(25)26)14-18(16-8-6-5-7-9-16)22-20(24)27-21(2,3)4/h5-14,18H,1-4H3,(H,22,24)/b19-14-/t18-/m0/s1 |
| InChIKey |
MHJMDQJOKOVAOO-OWBBTNHHSA-N |
| Molecular Weight |
400.493 g/mol |
| SMILES |
[C@](\C=C\(N(=O)=O)SC=1C=CC(=CC1)C)(NC(OC(C)(C)C)=O)(C=1C=CC=CC1)[H] |
