| SpectraBase Spectrum ID |
5Uh5zpokkwj |
| Name |
3-(1-Chloro-1-methylethyl)-4-nitro-1-oxaspiro[4.5]decane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.113171205 u |
| Formula |
C12H20ClNO3 |
| InChI |
InChI=1S/C12H20ClNO3/c1-11(2,13)9-8-17-12(10(9)14(15)16)6-4-3-5-7-12/h9-10H,3-8H2,1-2H3 |
| InChIKey |
YQPMWKBGDZHIMI-UHFFFAOYSA-N |
| Molecular Weight |
261.749 g/mol |
| SMILES |
C1(N(=O)=O)C(COC11CCCCC1)C(Cl)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81256 |
![3-(1-Chloro-1-methylethyl)-4-nitro-1-oxaspiro[4.5]decane](/api/spectrum/5Uh5zpokkwj/structure.png?h=300&w=458 "3-(1-Chloro-1-methylethyl)-4-nitro-1-oxaspiro[4.5]decane")
