| SpectraBase Spectrum ID |
L7w4ud5LnXa |
| Name |
(2S,3R,3as,7as)-2-Butyl-3-iodanyl-2,3,3A,4,5,6,7,7A-octahydro-1-benzofuran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.063710295 u |
| Formula |
C12H21IO |
| InChI |
InChI=1S/C12H21IO/c1-2-3-7-11-12(13)9-6-4-5-8-10(9)14-11/h9-12H,2-8H2,1H3/t9-,10-,11-,12+/m0/s1 |
| InChIKey |
MZOQCZLUJMSQOF-FIQHERPVSA-N |
| Molecular Weight |
308.203 g/mol |
| SMILES |
[C@@]12(O[C@]([C@@]([C@]2(CCCC1)[H])(I)[H])(CCCC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94241 |
