| SpectraBase Spectrum ID |
KEWG41SdMbB |
| Name |
15,16-Diiodo-15,16-seco-D-nor-5.alpha.-adrostane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
500.043690966 u |
| Formula |
C18H30I2 |
| InChI |
InChI=1S/C18H30I2/c1-17(12-20)10-8-15-14(16(17)11-19)7-6-13-5-3-4-9-18(13,15)2/h13-16H,3-12H2,1-2H3/t13-,14?,15?,16?,17-,18+/m1/s1 |
| InChIKey |
RKEOBVABXHFNOX-BVBYZIEISA-N |
| Molecular Weight |
500.247 g/mol |
| SMILES |
C12[C@@]3([C@@](CCCC3)([H])CCC1C([C@](CI)(C)CC2)CI)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903742 |
