| SpectraBase Spectrum ID |
7BBRcFG0oSz |
| Name |
2-[(4R,6S)-6-(Iodomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.064104217 u |
| Formula |
C13H23IO4 |
| InChI |
InChI=1S/C13H23IO4/c1-12(2,3)18-11(15)7-9-6-10(8-14)17-13(4,5)16-9/h9-10H,6-8H2,1-5H3/t9-,10+/m1/s1 |
| InChIKey |
CORVBPCRXWGOBJ-ZJUUUORDSA-N |
| Molecular Weight |
370.227 g/mol |
| SMILES |
C1(O[C@@](CC(OC(C)(C)C)=O)(C[C@](O1)(CI)[H])[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972592 |
![2-[(4R,6S)-6-(iodomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert-butyl ester](/api/spectrum/7BBRcFG0oSz/structure.png?h=300&w=458 "2-[(4R,6S)-6-(iodomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert-butyl ester")
