| SpectraBase Spectrum ID |
5bdhxWT5mVb |
| Name |
(3S)-3-Benzyloxy-1,1-diiodobut-2-yl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.918884372 u |
| Formula |
C13H16I2O3 |
| InChI |
InChI=1S/C13H16I2O3/c1-9(12(13(14)15)18-10(2)16)17-8-11-6-4-3-5-7-11/h3-7,9,12-13H,8H2,1-2H3/t9-,12?/m0/s1 |
| InChIKey |
XWAWGYRQWFSWMK-QHGLUPRGSA-N |
| Molecular Weight |
474.077 g/mol |
| SMILES |
C(OC(=O)C)(C(I)I)[C@@](OCC1=CC=CC=C1)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947552 |
