| SpectraBase Spectrum ID |
9lzHNN1Yfax |
| Name |
(2R,3R)-2-(Benzyloxycarbonylamino)-3-iodo-butyric acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.059353188 u |
| Formula |
C16H22INO4 |
| InChI |
InChI=1S/C16H22INO4/c1-11(17)13(14(19)22-16(2,3)4)18-15(20)21-10-12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,18,20)/t11-,13+/m1/s1 |
| InChIKey |
PEJLYTOCDDVZKM-YPMHNXCESA-N |
| Molecular Weight |
419.259 g/mol |
| SMILES |
C([C@]([C@@](C)(I)[H])(NC(=O)OCC=1C=CC=CC1)[H])(=O)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839219 |
