| SpectraBase Spectrum ID |
DCQHYbFx462 |
| Name |
28-Nitrosospirosol-5-en-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.319543217 u |
| Formula |
C27H42N2O3 |
| InChI |
InChI=1S/C27H42N2O3/c1-16-7-12-27(29(15-16)28-31)17(2)24-23(32-27)14-22-20-6-5-18-13-19(30)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,30H,6-15H2,1-4H3 |
| InChIKey |
CZZBWKHYILYJOM-UHFFFAOYSA-N |
| Molecular Weight |
442.644 g/mol |
| SMILES |
CC1CCC2(C(C3C(O2)CC2C3(CCC3C2CC=C2C3(CCC(C2)O)C)C)C)N(C1)N=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948919 |
