| SpectraBase Spectrum ID |
AsdOPPNKtGQ |
| Name |
(2R,3R,4S)-1-Benzyloxy-5-iodo-2,4-dimethyl-pentan-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.058624914 u |
| Formula |
C14H21IO2 |
| InChI |
InChI=1S/C14H21IO2/c1-11(8-15)14(16)12(2)9-17-10-13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10H2,1-2H3/t11-,12-,14+/m1/s1 |
| InChIKey |
CBAUMHRJPVTJSO-BZPMIXESSA-N |
| Molecular Weight |
348.224 g/mol |
| SMILES |
[C@]([C@@](COCC1=CC=CC=C1)(C)[H])([C@@](CI)(C)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936943 |
